Alternatives to SYNTHIA Retrosynthesis Software
Compare SYNTHIA Retrosynthesis Software alternatives for your business or organization using the curated list below. SourceForge ranks the best alternatives to SYNTHIA Retrosynthesis Software in 2026. Compare features, ratings, user reviews, pricing, and more from SYNTHIA Retrosynthesis Software competitors and alternatives in order to make an informed decision for your business.
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FindMolecule
FindMolecule
FindMolecule is an innovative online inventory and ELN platform for chemists and biologists. It is used in labs all around the world to improve their efficiency. Great for structure searches, barcode scanning, health & safety, orders management and much more. The electronic lab notebook is the most intuitive on the market. Our inventory management software and our ELN are very intuitive. FindMolecule is built to satisfy the requirements of the most security-sensitive organizations. Link your inventory to your electronic lab notebook in one click! Use our innovative drawing application to search your products by structure. No more excel files is requiered! Reduce errors and eliminate waste time of manual recordkeeping using barcodes. Use our chemical inventory management system and facilitate your work with our advanced features: the multiscan module, the structure and substructure search, the “Order” section including an impressive database. -
2
StarDrop
Optibrium
With its comprehensive suite of integrated software, StarDrop™ delivers best-in-class in silico technologies within a highly visual and user-friendly interface. StarDrop™ enables a seamless flow from the latest data through predictive modeling to decision-making regarding the next round of synthesis and research, improving the speed, efficiency, and productivity of the discovery process. Successful compounds require a balance of many different properties. StarDrop™ guides you through this multi-parameter optimization challenge to target compounds with the best chance of success, saving you time and resources by enabling you to synthesize and test fewer compounds. -
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alvaBuilder
Alvascience
alvaBuilder is a no-code de novo molecular design software for generating novel chemical structures that satisfy user-defined structural, physicochemical, and modeling constraints. It enables the creation of new molecules starting from scratch or by evolving existing structures using fragment-based and rule-driven approaches. alvaBuilder integrates seamlessly with QSAR/QSPR workflows, allowing users to guide molecule generation using predictive models, descriptor ranges, and property targets. The software supports medicinal chemistry, lead optimization, and virtual screening tasks by efficiently exploring chemical space while maintaining chemical feasibility and interpretability. alvaBuilder is designed for research and industrial applications where transparent, controllable, and reproducible molecular generation is required. -
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BIOVIA Discovery Studio
Dassault Systèmes
Today’s biopharmaceutical industry is marked by complexity: growing market demands for improved specificity and safety, novel treatment classes and more intricate mechanisms of disease. Keeping up with this complexity requires a deeper understanding of therapeutic behavior. Modeling and simulation methods provide a unique means to explore biological and physicochemical processes down to the atomic level. This can guide physical experimentation, accelerating the discovery and development process. BIOVIA Discovery Studio brings together over 30 years of peer-reviewed research and world-class in silico techniques such as molecular mechanics, free energy calculations, biotherapeutics developability and more into a common environment. It provides researchers with a complete toolset to explore the nuances of protein chemistry and catalyze discovery of small and large molecule therapeutics from Target ID to Lead Optimization. -
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SILCS
SilcsBio
Site-Identification by Ligand Competitive Saturation (SILCS) generates 3D maps (FragMaps) of interaction patterns for chemical functional groups with your target molecule. Site-Identification by Ligand Competitive Saturation (SILCS) generates 3D maps (FragMaps) of interaction patterns for chemical functional groups with your target molecule. SILCS reveals intricacies of dynamics and provides tools to optimize ligand scaffolds using qualitative and quantitative binding pockets insights allowing more rapid and effective drug design. SILCS uses multiple small molecule probes with various functional groups, explicit solvent modeling, and target molecule flexibility to perform protein target mapping. Visualize favorable interactions with the target macromolecule. Gain insights to design better ligands with optimally placed functional groups. -
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Atomwise
Atomwise
We use our AI engine to transform drug discovery. Our discoveries help create better medicines faster. Our AI-enabled discovery portfolio includes wholly-owned and co-developed pipeline assets, and is backed by prominent investors. Atomwise developed a machine-learning-based discovery engine that combines the power of convolutional neural networks with massive chemical libraries to discover new small-molecule medicines. The secret to reinventing drug discovery with AI is people. We are dedicated to developing the best AI platform and using it to transform small molecule drug discovery. We have to tackle the most challenging, seemingly impossible targets and streamline the drug discovery process to give drug developers more shots on goal. Computational efficiency enables screening of trillions of compounds in silico, increasing the likelihood of success. Demonstrated exquisite model accuracy, overcoming the challenge of false positives. -
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BIOiSIM
VERISIMLife
BIOiSIMTM is a first-in-class 'virtual drug development engine' that offers unprecedented value for the drug development industry by narrowing down the number of drug compounds that offer anticipated value for the treatment or cure of specific illnesses or diseases. We offer a range of translational-based solutions, customized for your pre-clinical and clinical programs. These offerings are all centered around our proven and validated BIOiSIMTM platform for small molecules, large molecules, and viruses. Our models are built on data from thousands of compounds across 7 species, leading to robustness rarely seen in the industry. With a focus on human outcomes, the platform has at its core a translatability engine that transforms insights across species. The BIOiSIMTM platform can be used before the preclinical animal trial start, allowing earlier insights and savings in expensive outsourced experimentation. -
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BenevolentAI
BenevolentAI
BenevolentAI is an AI-enabled drug discovery platform and scientific technology company that unites advanced artificial intelligence, machine learning, and domain-specific science to accelerate the discovery, design, and development of new medicines for complex diseases by making sense of vast, diverse biomedical data and generating actionable scientific insights faster than traditional methods. Its proprietary Benevolent Platform ingests and harmonizes structured and unstructured biomedical information, including literature, genomics, clinical information, and multi-omics data, into a comprehensive knowledge graph, enabling scientists to reason across biological systems, generate hypotheses, predict novel drug targets, and design candidate molecules with higher confidence and lower failure rates. -
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Bruker Drug Discovery
Bruker
Bringing a new drug into the market, from the first step to the final market introduction, is a time-consuming, highly regulated, and expensive process, which can take a decade or more. Final success crucially depends on the early availability of accurate analytical results, fast enough for taking the right decisions at the beginning of the development and minimizing late attrition rates. Today’s drug development is mainly based on a rational approach where typically establishing the biological target to focus on is the first key step. This target identification requires a deep understanding of the candidates´ properties to identify the most promising ones as quickly and reliable as possible. Once a biological target has been established, finding the most promising lead molecules is often seen as the next challenge. Typically, lead discovery is the identification of potential drug candidates – either small organic molecules or biologic assemblies with therapeutic potential. -
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alvaMolecule
Alvascience
alvaMolecule is a no-code cheminformatics tool for visualizing, curating, and standardizing molecular datasets before analysis. It supports common molecular formats (SMILES, SDF/MOL2) and lets users explore collections in grid or spreadsheet views, with automatic import of associated data. The software provides structure verification and standardization using predefined standardizers and custom SMIRKS rules, helps detect and manage duplicates, and offers scaffold analysis to summarize core frameworks. Built-in filters and charting tools enable sorting by substructure, calculated molecular descriptors, and physicochemical properties. alvaMolecule calculates ~88 structural and physicochemical properties, including drug-like and lead-like scores such as LogP, TPSA, and the Lipinski alert index, helping prepare high-quality datasets for QSAR/QSPR modeling, descriptor calculation, and virtual screening workflows. -
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Schrödinger
Schrödinger
Transform drug discovery and materials research with advanced molecular modeling. Our physics-based computational platform integrates differentiated solutions for predictive modeling, data analytics, and collaboration to enable rapid exploration of chemical space. Our platform is deployed by industry leaders worldwide for drug discovery, as well as for materials science in fields as diverse as aerospace, energy, semiconductors, and electronics displays. The platform powers our own drug discovery efforts, from target identification to hit discovery to lead optimization. It also drives our research collaborations to develop novel medicines for critical public health needs. With more than 150 Ph.D. scientists on our team, we invest heavily in R&D. We’ve published over 400 peer-reviewed papers that demonstrate the strength of our physics-based approaches, and we’re continually pushing the limits of computer modeling. -
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Discngine Assay
Discngine
Discngine Assay is a laboratory informatics platform that integrates every phase of plate-based assays into a cohesive, compliant, and efficient workflow, making it an essential tool for screening research labs. It enables scientists to streamline the entire High Throughput Screening workflow, from sample management and assay data analysis to data warehousing and liquid handling equipment qualification. With its intuitive interface and robust API, Discngine Assay integrates seamlessly with Lab equipments and existing IT environment, ensuring efficient data capture and processing. Designed to accelerate new molecule discovery, it addresses the needs of pharmaceutical, biotech, and CRO industries, enhancing collaboration and driving innovation in life science research. -
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Gritstone
Gritstone bio
The first pillar of our immunotherapy is our understanding of antigens and neoantigens, and specifically which ones will be transcribed, translated, processed and presented on a cell surface by Human leukocyte antigen (HLA) molecules; and therefore will be visible to T cells. We accomplish this through the use of Gritstone EDGETM, our proprietary machine learning-based platform. Developing cancer immunotherapies that include tumor-specific neoantigens presents a challenge due to their nature – tumors typically have hundreds of mutations, but only a small percentage of those mutations result in true tumor-specific neoantigens that are. To address this challenge, we trained EDGE’s novel integrated neural network model architecture with millions of data points from hundreds of tumor and normal tissue samples from patients of various ancestries. -
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AutoDock
AutoDock
AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. Over the years, it has been modified and improved to add new functionalities, and multiple engines have been developed. Current distributions of AutoDock consist of two generations of software: AutoDock 4 and AutoDock Vina. More recently, we developed AutoDock-GPU, an accelerated version of AutoDock4 that is hundreds of times faster than the original single-CPU docking code. AutoDock 4 actually consists of two main programs: autodock performs the docking of the ligand to a set of grids describing the target protein; autogrid pre-calculates these grids. In addition to using them for docking, the atomic affinity grids can be visualized. This can help, for example, to guide organic synthetic chemists design better binders. -
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Torx
Cresset Group
Make better design decisions and track compound synthesis from start to finish with ease. Torx is a visual, chemistry aware, web-based platform that inspires discovery chemistry teams to work together and deliver faster. Dedicated stand-alone modules for Design, Make, Test and Analyze that work in synergy to deliver a complete discovery cycle platform. Design molecules faster, capture and share knowledge, and manage resources with ease. Collaborative team working and information delivery for all roles in the DMTA cycle. However you refer to it, 'Design-Make-Test-Analyze' or 'Design-Synthesize-Test-Analyze', all small molecule chemistry teams go through a common process: design molecules, make or synthesize compounds, then test and analyze the results before the next iteration; it’s the mantra of chemistry teams all over the world. -
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Avogadro
Avogadro
Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture. Avogadro is a free, open-source molecular editor and visualization tool, designed for use on Mac, Windows, and Linux in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture. -
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InQuanto
Quantinuum
Quantum computing offers a path forward to rapid and cost-effective development of new molecules and materials. InQuanto, a state-of-the-art quantum computational chemistry platform, represents a critical step toward this goal. Quantum chemistry aims to accurately describe and predict the fundamental properties of matter and hence is a powerful tool in the design and development of new molecules and materials. However, molecules and materials of industrial relevance are complex and not easy to accurately simulate. Today’s capabilities force a trade to either use highly accurate methods on the smallest-sized systems or use approximating techniques. InQuanto’s modular workflow enables both computational chemists and quantum algorithm developers to easily mix and match the latest quantum algorithms with advanced subroutines and error mitigation techniques to get the best out of today’s quantum platforms. -
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ChemOffice
PerkinElmer Informatics
ChemOffice enhances scientists’ personal productivity and helps them do better science by enabling them to organize and explore their compounds, reactions and associated properties so that data can be turned into actionable information, and decisions can be made with greater confidence. ChemDraw for Excel adds chemical intelligence to Excel spreadsheets so that chemists can use Excel’s analysis, sorting and organization tools to further manipulate and enrich sets of compounds and data and explore structure-activity relationships. Chem3D generates 3D models so that chemists can view their compounds in three dimensions to assess shape and properties to maximize activity or specificity. ChemFinder is a chemically-intelligent personal database system that scientists use to organize their compounds and to search for and correlate structures with properties. -
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Molecule
Molecule
Molecule is the modern, reliable ETRM/CTRM. Built in the cloud with an intuitive, easy-to-use experience at its core, Molecule is the alternative to the convoluted systems of the past. With near real-time reporting, 30+ integrations, and headache-free implementations, Molecule gets your ETRM/CTRM out of your way - because you have more valuable things to do with your time. Molecule is next-generation P&L, near real-time VaR, position, and risk reporting software for companies trading any kind of commodity. Molecule is designed for power, natural gas, crude, renewables, liquids, metals, ags, softs, and FX options/futures. Molecule is everything an ETRM should be: • Automatic deal capture • Automatic market data • Automatic position, P&L, near real-time VaR, and risk • Advanced and custom reporting with an embedded BI tool • Automatic FCM reconciliation • ISO connectivity for FTRs & virtuals • Connections to multiple exchanges and market data providers • Fund allocation -
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Promethium
Promethium
Promethium is a GPU-powered chemistry simulation platform designed to accelerate drug and materials development by enabling faster and more accurate quantum chemistry calculations. Built from the ground up for NVIDIA datacenter GPUs like A100, it employs novel QC Ware streaming algorithms to achieve unprecedented computational speed and high throughput-to-power consumption ratios. It supports density functional theory calculations on systems with up to 2,000 atoms, allowing simulations of large molecular systems that are not feasible with legacy CPU-powered ab initio codes. For instance, a single-point calculation of a 2,056-atom protein can be completed in 14 hours on a single GPU. Promethium offers a range of capabilities, including single-point energy calculations, geometry optimization, conformer search, torsion scan, reaction path optimization, transition state optimization, interaction energy computations, and relaxed potential energy surface scans.Starting Price: $30 per hour -
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YASARA
YASARA
YASARA is a molecular graphics, modeling, and simulation program for Windows, Linux, MacOS, and Android developed in 1993, that finally makes it really easy to answer your questions. With an intuitive user interface, photorealistic graphics, and support for affordable virtual reality headsets, shutter glasses, autostereoscopic displays, and input devices, YASARA creates a new level of interaction with the 'artificial reality', that allows you to focus on your goal and forget about the details of the program. YASARA is powered by PVL (Portable Vector Language), a new development framework that provides performance way above traditional software. PVL allows you to visualize even the largest proteins and enables true interactive real-time simulations with highly accurate force fields on standard PCs, making use of GPUs if available. You can push and pull molecules around and work with dynamic models instead of static pictures.Starting Price: Free -
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Ascalaph Designer
Agile Molecule
Ascalaph Designer is a general-purpose program for molecular dynamic simulations. Under a single graphical environment are represented as their own implementation of molecular dynamics as well as the methods of classical and quantum mechanics of popular programs. Molecular geometry optimization with conjugate gradient methods. Shows molecular models in separate windows. Each window has two cameras, which allow the model to be simultaneously visualized from two sides and in different graphic modes. The subwindow can be opened by dragging the splitter in the right corner of each graphical window. Clicking on an atom or bond with the left mouse button slightly changes their color and a brief info about the picked object appears in the status bar. The wire-frame style is convenient for large molecules, particularly, proteins. Drawing is very fast for this style. Finally, CPK wire frame combines the properties of several above styles.Starting Price: Free -
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Chemical Computing Group
Chemical Computing Group
Chemical Computing Group (CCG) has a strong reputation for collaborative scientific support. With offices in North America, Europe and Asia, our team of PhD-level scientists works closely with our clients, providing support, hands-on training and scientific advice on a wide range of projects. CCG continuously develops new technologies with its team of mathematicians, scientists and software engineers and through scientific collaborations with customers. -
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ChemDraw
PerkinElmer
Since 1985 ChemDraw® solutions have provided powerful capabilities and integrations to help you quickly turn ideas and drawings into publications you can be proud of. A chemistry communication suite, ChemOffice+ Cloud transforms your chemical drawings into chemical knowledge by facilitating the management, reporting and presenting of your Chemistry research. ChemOffice+ Cloud, is a robust, comprehensive suite, purpose-built to simplify, facilitate, and accelerate chemistry communication. The cloud-native chemistry communication suite builds on the foundations of ChemDraw Professional and adds access to a powerful set of tools to enable scientific research. The mundane task of creating reports to communicate chemical research has become much more efficient with ChemOffice+ Cloud. With powerful capabilities to search, reuse, select, and organize chemical structures and data, chemists can use ChemOffice+ Cloud to create presentation-ready PowerPoint slides and manuscripts. -
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Aurora Drug Discovery
Aurora Fine Chemicals
Aurora employs quantum mechanics, thermodynamics, and an advanced continuous water model for solvation effects to calculate ligand´s binding affinities. This approach differs dramatically from scoring functions that are commonly used for binding affinity predictions. By including the entropy and aqueous electrostatic contributions in to the calculations directly, Aurora algorithms produce much more accurate and robust values of binding free energies. Interaction of a ligand with a protein is characterized by the value of binding free energy. The free energy (F) is the thermodynamic quantity that is directly related to experimentally measurable value of inhibition constant (IC50) and depends on electrostatic, quantum, aqueous solvation forces, as well as on statistical properties of interacting molecules. There are two major contributing quantities leading to non-additivity in F: 1) the electrostatic and solvation energy and 2) the entropy. -
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3decision
Discngine
3decision® is a cloud-based protein structure repository designed for comprehensive structural data management and advanced analytics, enabling small molecule and biologics discovery teams to accelerate structure-based drug design. It centralizes and standardizes experimental and in-silico protein structures from public sources like RCSB PDB and AlphaFoldDB, as well as proprietary data, supporting formats like PDBx/mmCIF and ModelCIF. This ensures easy access to X-Ray, NMR, cryo-EM, and modeled structures, fostering collaboration and enhancing research efforts. Beyond storage, 3decision® enriches entries with metadata and sequence information, including protein-ligand interactions, antibody annotations, and binding site details. Advanced analytical tools identify druggable sites, assess off-target risks, and enable binding site comparisons, transforming vast structural data into actionable knowledge. Its cloud-based platform facilitates collaboration among research teams. -
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Ontosight.ai
Partex
Ontosight is a cutting-edge research and AI-powered Q&A platform designed to revolutionize how you access and process information. Leveraging advanced artificial intelligence, Ontosight combines the precision of academic and specialized databases with the ease of conversational search. Whether you're an undergraduate, a Ph.D. student, or a seasoned researcher, Ontosight transforms traditional research into an efficient, insightful, and engaging experience. Why Choose Ontosight? Precision and Depth: Unlike generic search engines, Ontosight AI delivers highly targeted results from specialized databases, academic journals, and clinical trials. Transparency: Always know where your information comes from, with clear citations and references. Efficiency: Save hours by summarizing lengthy papers and highlighting critical insights. Exploration of Connections: Highlights relationships between entities—like genes, molecules, or treatments—helping you uncover patterns and ideas for iStarting Price: $11 per month -
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quattro/CM
quattro research
quattro research GmbH is an interdisciplinary team of scientists and IT specialists. We develop innovative solutions and products for our customers from the life science , pharma and chemistry industries. Integration and separation of databases and intellectual property after mergers and spin-offs respectively. Biological and chemical registration systems, including complex proteins, supporting the HELM notation. Scientists working with antibodies, antibodydrug-conjugates, large peptides, RNA molecules or any other biomolecule need appropriate software solutions. quattro research offers solutions for registration and management of biomolecules based on the open HELM Notation & Editor. -
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Causaly
Causaly
Leverage the power of AI to expedite the journey from bench research and laboratory insights to the launch of life-changing therapies. Gain up to 90% in research productivity by reducing your reading time from months to minutes. Cut through the noise with a high-precision, high-accuracy search to navigate the ever-growing volume of scientific literature with ease. Save time, reduce bias and increase odds of novel discoveries. Deeply explore disease biology and conduct advanced target discovery. Causaly’s high-precision knowledge graph consolidates evidence from millions of publications, making deep, unbiased scientific exploration possible. Rapidly navigate biological cause-and-effect relationships without being an expert. Get a view of all scientific documents and uncover hidden connections. Causaly’s powerful AI machine reads millions of published biomedical literature to support better decision-making and research outcomes. -
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Scilligence Inventory
Scilligence
Create and manage containers of various entities including samples, reagents, biologics, 96-well plates, and small molecules. Conduct inventory management by simply scanning barcodes; create, move, use, split, and dispose of containers. With Inventory's user roles and powerful search features, readily track hazardous compounds, regulate user access, and maintain laboratory compliance with safety regulations. Inventory allows for the management of unique entities, reagents, and stockroom R&D materials. Generate reports based on container or sample type, container status, or container location. Track compound usage and set automatic low-stock alerts. -
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Recursion
Recursion
Recursion is a TechBio company focused on transforming drug discovery by combining biology, data, and artificial intelligence. Founded over a decade ago, the company pioneered the use of large-scale cellular imaging to train AI models that decode the biological drivers of disease. Recursion’s mission is to deliver better medicines through novel insights and precision design, reducing the high failure rates of traditional drug development. Its proprietary Recursion OS platform integrates massive biological datasets with machine learning to accelerate discovery from target identification to clinical development. The company has built an advanced pipeline of potential first-in-class and best-in-class therapies targeting aggressive cancers and rare diseases. Automated wet labs and robotics enable millions of experiments per week, feeding continuous learning into its AI models. -
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Decipher IP
Decipher IP
The real value of most companies today is in their ideas and how well they are implemented. Innovation and the protections of intellectual property are crucial for companies to survive and thrive. But most companies still use spreadsheets, file folders, banker boxes, emails or poor tools to keep track. The result? Wasted time and money. Missed opportunities. Increased risk. Decipher is a subscription-based Software-as-a-Service (SaaS) solution for intellectual property management. In one central, secure place, it connects your organization's inventors, managers, and executives to critical information. Decipher makes it easy for engineers, scientists and others to enter their ideas and get them reviewed. For example, say you're a scientist at a biotech firm, you split a molecule and think you figured out a disease. You pop up our software, input your idea and hit submit. This does two things: It banks the idea as knowledge so that nothing slips through the cracks. -
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Sapio Scientific Data Cloud
Sapio Sciences
Sapio Scientific Data Cloud is a science-aware scientific data management system that unifies and contextualizes all your laboratory data, assay results, instrument outputs, archives, and third-party ELN/LIMS records into a single, searchable platform without any coding. It supports automated data capture and parsing from over 200 instrument adaptors, semantic search powered by ontologies, built-in charting, and advanced neural-network analytics (ANOVA, best-response curves, 4/5 PL curves, flow-cytometry gating), and AI-driven insights. Secure, role-based access and data archiving keep sensitive information safe, while protein, molecule, plasmid, and system-wide viewers let scientists explore results interactively. Deep integration with Sapio LIMS and ELN systems automatically associates data with samples, experiments, and entities. -
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ArgusLab
ArgusLab
ArgusLab is a molecular modeling, graphics, and drug design program for Windows operating systems. It’s getting a little dated by now, but remains surprisingly popular. To date, there are more than 20,000 downloads. ArgusLab is freely licensed. You don’t need to sign anything. You can use as many copies as you need if you are teaching a class where your students might benefit from using ArgusLab. You are not allowed to redistribute ArgusLab from other websites or sources. However, you may link to this website from your own websites if you like. A low-key effort is currently underway to port ArgusLab to the iPad. In addition, I’ve done some work with the Qt cross-platform development environment in an effort to support Mac, PC, and Linux.Starting Price: Free -
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alvaModel
Alvascience
alvaModel is a software tool for building, validating, comparing, and applying QSAR and QSPR models. It supports regression and classification workflows based on molecular descriptors and fingerprints, with a strong focus on model transparency, interpretability, and scientific robustness. The software includes multiple data splitting strategies, variable selection methods, modeling algorithms, and comprehensive internal and external validation procedures. alvaModel provides diagnostic plots, applicability domain analysis, and model comparison tools to support the identification of reliable and predictive models. Designed according to best practices in chemometrics, alvaModel facilitates the development of interpretable models consistent with the OECD principles for QSAR validation, making it suitable for research and regulatory-oriented applications. The graphical interface guides users through the entire modeling workflow while allowing full control over each modeling step. -
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Khimera
Kintech Laboratory
Khimera is used to calculate the kinetic parameters of microscopic processes, thermodynamic and transport properties of substances and their mixtures in gases, plasmas and gas-solid phases boundary. The primary users are researchers and engineers, involved in kinetic model development as well as thermodynamic and kinetic modeling for chemical engineering, combustion, catalysis, metallurgy, and microelectronics areas. Khimera ideally fits the needs of multi-scale modeling providing the link between fundamental molecular properties of individual molecules and mesoscale ensemble-averaged characteristics of the reactive medium: thermodynamic and transport properties as well as rates of chemical reactions. All the models can use the results of quantum-chemical simulations as an input, thus providing the possibility to recover properties without any experimental input from the user side. -
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NVIDIA BioNeMo
NVIDIA
BioNeMo is an AI-powered drug discovery cloud service and framework built on NVIDIA NeMo Megatron for training and deploying large biomolecular transformer AI models at a supercomputing scale. The service includes pre-trained large language models (LLMs) and native support for common file formats for proteins, DNA, RNA, and chemistry, providing data loaders for SMILES for molecular structures and FASTA for amino acid and nucleotide sequences. The BioNeMo framework will also be available for download for running on your own infrastructure. ESM-1, based on Meta AI’s state-of-the-art ESM-1b, and ProtT5 are transformer-based protein language models that can be used to generate learned embeddings for tasks like protein structure and property prediction. OpenFold, a deep learning model for 3D structure prediction of novel protein sequences, will be available in BioNeMo service. -
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Signals VitroVivo
PerkinElmer Informatics
Signals VitroVivo unites assay development, low throughput to ultra-high-throughput production assays, High Content Screening, and in vivo studies so users can search across all assay and screening data in a single platform. Signals VitroVivo is flexible enough for one-off assay work during assay development, comprehensive enough for more sophisticated essays, and diverse enough to support a long and growing list of techniques and that is scalable all the way to ultra-high data volumes. Scientists can now leverage a consistent, repeatable pattern for data acquisition as well as the data processing protocols themselves. Quick and easy structure-activity relationship analysis for small and large molecules. Built for the purpose to address specific requirements for handling studies, treatments and samples. -
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SpliceCore
Envisagenics
Using RNA sequencing (RNA-seq) data and Artificial Intelligence are both a necessity and an opportunity to develop therapeutics that target splicing errors. The use of machine learning enables us to discover new splicing errors and quickly design therapeutic compounds to correct them. SpliceCore is our dedicated AI platform for RNA therapeutics discovery. We developed this technology platform specifically for the analysis of RNA sequencing data. It can identify, test and validate hypothetical drug targets faster than traditional methods. At the heart of SpliceCore is our proprietary database of more than 5 million potential RNA splicing errors. It is the largest database of splicing errors in the world and it is used to test every RNA sequencing dataset that is input for analysis. Scalable cloud computing enables us to process massive amounts of RNA sequencing data efficiently, at higher speed and lower cost, exponentially accelerating therapeutic innovation. -
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BIOVIA TURBOMOLE
Dassault Systèmes
BIOVIA TURBOMOLE is a high-performance quantum chemistry software package designed for ab initio electronic structure calculations across molecules, clusters, periodic systems, and solutions. Developed initially by the University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, and now maintained by TURBOMOLE GmbH, it offers a comprehensive suite of computational methods, including density functional theory (DFT), Møller–Plesset perturbation theory, coupled-cluster techniques, and GW-Bethe–Salpeter methods. It excels in delivering accurate predictions for chemical reactions, spectroscopy, and optical device simulations, with features like reaction path optimizations, transition state searches, and solvation effects modeled using COSMO-RS. Spectroscopic capabilities encompass IR, Raman, VCD, UV-Vis, and vibronic spectra, while optical property simulations benefit from advanced spin-orbit coupling methods and relativistic all-electron calculations. -
41
Kebotix
Kebotix
Kebotix is a technology platform company for new chemicals and materials, ushering in a new age of high-speed innovation using artificial intelligence and robotic automation. Kebotix has built the world’s first self-driving lab for materials discovery powered by AI and robotics. Kebotix is accelerating the exploration, discovery, use, and production of new molecules and materials that can solve some of the world’s most urgent problems. Bring your products to market faster with us and benefit from the leading material design technology powered by our self-driving lab. Kebotix boosts your R&D to the forefront of digitalization by providing enterprise AI solutions customized for your materials discovery. We help you bring better products to market faster with automated learning from each iteration of the predict-produce-prove cycle. -
42
NVIDIA Clara
NVIDIA
Clara’s domain-specific tools, AI pre-trained models, and accelerated applications are enabling AI breakthroughs in numerous fields, including medical devices, imaging, drug discovery, and genomics. Explore the end-to-end pipeline of medical device development and deployment with the Holoscan platform. Build containerized AI apps with the Holoscan SDK and MONAI, and streamline deployment in next-generation AI devices with the NVIDIA IGX developer kits. The NVIDIA Holoscan SDK includes healthcare-specific acceleration libraries, pre-trained AI models, and reference applications for computational medical devices. -
43
Evo 2
Arc Institute
Evo 2 is a genomic foundation model capable of generalist prediction and design tasks across DNA, RNA, and proteins. It utilizes a frontier deep learning architecture to model biological sequences at single-nucleotide resolution, achieving near-linear scaling of compute and memory relative to context length. Trained with 40 billion parameters and a 1 megabase context length, Evo 2 processes over 9 trillion nucleotides from diverse eukaryotic and prokaryotic genomes. This extensive training enables Evo 2 to perform zero-shot function prediction across multiple biological modalities, including DNA, RNA, and proteins, and to generate novel sequences with plausible genomic architecture. The model's capabilities have been demonstrated in tasks such as designing functional CRISPR systems and predicting disease-causing mutations in human genes. Evo 2 is publicly accessible via Arc's GitHub repository and is integrated into the NVIDIA BioNeMo framework. -
44
IXL
IXL Learning
IXL is personalized learning. With a comprehensive K-12 curriculum, individualized guidance, and real-time analytics, IXL meets the unique needs of each learner. At IXL Learning, we are passionate about improving learning for all. We apply technology in thoughtful and innovative ways to unlock students' innate curiosity, creativity, and desire for knowledge. IXL Learning is an educational technology company that delivers an immersive e-learning experience—for all students, in all grades, in math, English language arts, science, and social studies. With 7 million students already using IXL in the U.S., and over 55 billion questions asked and answered around the world, IXL is helping schools successfully use technology to improve teaching and learning. From algebra to adverbs, molecules to maps, IXL’s content and technology enable fresh, engaging, and personalized experiences that spark curiosity and build confidence.Starting Price: $6.58 per subject per month -
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Quandela
Quandela
Quandela Cloud offers a wide range of functionalities. First, intensive documentation is available to walk you through Perceval, our photonic quantum computing framework. Perceval's programming language is Python, thus coding on Quandela’s QPUs is seamless. Moreover, you can leverage a wide range of unique algorithms already implemented (resolving PDEs, clustering data, generating certified random numbers, solving logistical problems, computing properties of molecules, and much more). Then, the status and specifications of Quandela’s QPUs are displayed. You can choose the appropriate one, run your job and check its evolution on the job monitoring interface. -
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Genedata Biologics
Genedata
Genedata Biologics® streamlines discovery of biotherapeutics including bispecifics, ADCs, TCRs, CAR-Ts, and AAVs. The most widely adopted platform across the industry, it integrates all discovery workflows so you can focus on true innovation. Accelerate research with a first-in-class platform uniquely designed from the start to digitalize biotherapeutic discovery. The platform facilitates complex R&D processes by designing, tracking, testing, and assessing novel biotherapeutics drugs. It works with any format, from antibodies, bi- or multi-specifics, ADCs, novel scaffolds, and therapeutic proteins, to engineered therapeutic cell lines such as TCRs and CAR-T cells. Acting as a central end-to-end data backbone, Genedata Biologics integrates all R&D processes, from library design and immunizations, selections and panning, molecular biology, screening, protein engineering, expression, purification, and protein analytics, to candidate developability and manufacturability assessments. -
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Charged Particles
Charged Particles
Charged Particles is the groundbreaking new protocol that lets you put digital assets inside your NFTs. Now, ordinary NFTs (think neutral molecules) can contain a digital "charge" inside — ERC20, ERC721 or ERC1155 — giving you the unprecedented power to create nested NFTs. If you can digitize it, you can deposit it into your NFTs. Deposit tokens supported by Aave that then get converted to aTokens by the protocol into an NFT to create yield-bearing assets. The interest generated from this asset is programmable, which means you have control over the principle and the interest earned. You have the option to time-lock the interest-bearing tokens and come back to it in a year, or another designated amount of time to collect your cumulative gains. Create baskets of trading cards based on celebrities who have social tokens, and the NFTs contain some amounts of their token. -
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Scilligence ELN
Scilligence
Scilligence ELN is a unified informatics platform that supports R&D effort across all scientific branches focusing on small molecules, mRNA, ADCs, DEL, and more. Our ELN provides an elegant solution to macromolecule work by leveraging the most advanced HELM implementations. With its purposeful design the Scilligence ELN is a platform that will help your lab elevate internal and external collaborative processes. Major Features • Large selection of user-vetted experiment templates • Proprietary indexing capabilities enable structure, HELM, and biosequence queries • Seamless integration with registration, inventory, and assay data warehouse • Proprietary informatics engine enables advanced HELM functionality and enhanced stereochemistry • Auto-extract information from flat files via our Data Reader technology for efficient data capturing and processing -
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Chemaxon Marvin Pro
Chemaxon
Draw and publish chemical structures seamlessly with our web-based chemistry editor. Marvin Pro is a drawing tool that combines our chemically intelligent technology with a clean user interface. Chemists, researchers, and students can convert their thoughts into high-quality visual representations in no time. Marvin Pro handles a large number of objects, chemical structures, arrows, or texts, on a single canvas, and aligns them with precision. Chemical editors shouldn’t be complicated. With our intuitive solution, you can transform your chemical structure ideas into clear visuals. The quality of your chemical drawing should match the effort you put into your research. Marvin Pro allows you to create high-quality visuals that you can then present to your workplace. Let the Marvin Pro canvas become an extension of your mind. Add predefined templates or labels, color your structures, and insert images from external sources. You can even display the structure’s formula. -
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DNAnexus Apollo
DNAnexus
DNAnexus Apollo™ accelerates precision drug discovery by unlocking the power of collaboration to draw critical insights from omics data. Precision drug discovery requires collecting and analyzing huge volumes of omics and clinical data. These datasets are incredibly rich resources, but most legacy and home-grown informatics tools can't cope with their size and complexity. Precision medicine programs can also be hampered by siloed data sources, underpowered collaboration tools, and the burden of complex and always changing regulatory and security requirements. DNAnexus Apollo™ supports precision drug discovery programs by empowering scientists and clinicians to explore and analyze omics and clinical data together, in a single environment, built on a robust, scalable cloud platform. Apollo lets them share data, tools, and analyses easily and securely with peers and collaborators everywhere - whether they're on another floor, or another continent.
