Alternatives to MoluCAD
Compare MoluCAD alternatives for your business or organization using the curated list below. SourceForge ranks the best alternatives to MoluCAD in 2026. Compare features, ratings, user reviews, pricing, and more from MoluCAD competitors and alternatives in order to make an informed decision for your business.
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1
SYNTHIA Retrosynthesis Software
Merck KGaA
Expert-coded by chemists and engineered by computer scientists, SYNTHIA™ Retrosynthesis Software enables scientists to quickly find and easily navigate innovative and novel pathways for novel and published target molecules. Quickly and efficiently scan hundreds of pathways to help you identify the best option according to your needs. Explore the most cost-effective routes to your target molecules with state of the art visualization and filtering options. Easily customize search parameters to eliminate or promote reactions, reagents or classes of molecules. Explore unique and innovative syntheses that may be unknown for building your desired molecule. Easily generate a list of commercially available starting materials for your synthesis. Benefit from ISO/IEC 27001 Information Security Certification to guarantee the confidentiality, integrity, and protection of your data.Starting Price: €0 / 30 days -
2
Labguru
Cenevo
Labguru is a secure, cloud-based Electronic Lab Notebook (ELN), LIMS and informatics platform which offers a complete solution for life science research and industry. It records and manages laboratory data and inventory, includes molecular biology tools and chemistry tools, enables automation of the lab, insight into lab data making labs run more efficiently. With Labguru, scientists can design experiments and workflows, capture structured and unstructured data, manage projects, and share their work. Customizable experiment templates, integration of protocols, SOPs, and other cutting-edge features help to increase data quality, streamline workflows and reduce costs. Labguru is available on desktops and mobile devices via the cloud. Labguru is part of Holtzbrinck Publishing Group and serves over 100,000 scientists worldwide from startups, universities, research institutes up to some of the largest pharma companies. -
3
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. -
4
MolPad
MolPad
MolPad integrates an interactive chemistry sketcher into any online learning platform. Build open questions about molecular structure and organic chemistry that go beyond just recognizing the right answer. Discover how MolPad can enrich online chemistry education by providing a low code environment for creating dynamic content and smart assessment. With MolPad, we have developed several solutions for interactive and intuitive drawing of structural formulas, enabling the student to practice with topics like chemical naming, functional groups, and Lewis structures in a digital environment. By providing smart feedback based on specific errors, the student can gain more insight than with multiple choice questions. -
5
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 -
6
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. -
7
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 -
8
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. -
9
ChemDoodle
iChemLabs
ChemDoodle 2D contains thousands of chemistry features, helping you produce the highest quality graphics and saving you hours of work. We spend a very long time scrutinizing the graphics output in ChemDoodle. The software automatically orients bonds in the correct directions, merges bond strokes together, places attributes in the best locations and automatically makes smart decisions that lead to the most beautiful and appealing images. Of course, you can always override the software to your preference. Every component of the graphic is fully customizable. Whether you are looking to control bond widths, arrowhead sizes or shape transparency and color; you are in control. ChemDoodle’s drawing controls are made to clearly model the atoms and bonds they manage. Copious visual feedback is provided. There are also many options for customizing the drawing tools to your preference, including for accessibility concerns.Starting Price: $12.5 per month -
10
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. -
11
HyperProtein
Hypercube
HyperProtein is Hypercube, Inc.'s new product focusing on the computational science associated with protein sequences. The product includes the analysis of one-dimensional protein sequences as well as the analysis of consequent three-dimensional protein structures. In particular, the relationship between sequence and structure is a fundamental facet of the product. Unlike individual software programs that provide capability for some aspect of protein sequence or structure, such as sequence alignment, HyperProtein puts together a multitude of Bioinformatics and Molecular Modeling tools related to the science that initiates with a protein sequence. -
12
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 -
13
Tox Suite
ACD/Labs
Calculate drug toxicity and safety endpoints to reduce attrition rates of molecular entities that are unlikely to succeed to nomination as a drug candidate, direct new compound synthesis, and focus animal testing requirements. -
14
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 -
15
Chemaxon Design Hub
Chemaxon
A platform that connects scientific rationale, compound design, and computational resources. Chemaxon’s Design Hub for medicinal chemistry from analysis to prioritize ideas. Design Compounds and manage ideas within one platform. A single platform that connects scientific rationale, compound design, and computational resources. Switch from PowerPoint files to graphical and chemically searchable hypotheses that are an integral part of the compound design process. Easily work with your trusted phys-chem properties, computational models, novelty issues, or purchasable compound catalogs in a rich visual environment. Involve your CROs in the compound progression process using this secure online service. Analyze collected evidence from biological assays or experimental structural information, extract SAR, and make new hypotheses for the next optimization iteration. Store your scientific hypotheses in a “designer's ELN” (chemically aware drawing canvases). -
16
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. -
17
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. -
18
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. -
19
ChemSketch
ACD/Labs
Comprehensive molecular structure drawing and naming. Draw chemical structures and communicate your science. -
20
PyMOL
PyMOL
PyMOL is a user-sponsored molecular visualization system on an open-source foundation, maintained and distributed by Schrödinger. PyQt interface replaces Tcl/Tk and MacPyMOL on all platforms. Better third-party plugin and custom scripting support. A comprehensive software package for rendering and animating 3D structures. A plug-in for embedding 3D images and animations into PowerPoint presentations. PyMOL is a commercial product, but we make most of its source code freely available under a permissive license. The open-source project is maintained by Schrödinger and ultimately funded by everyone who purchases a PyMOL license. Open access incentive executables. Liberal evaluation policy. Improved fuse command (disallows hypervalent bonds, substitutes monovalent atoms instead of attaching to them) Properties inspector now supports unsetting settings with the “delete” key. Fix workspace disappearing on specific display resolutions. -
21
BIOVIA
Dassault Systèmes
BIOVIA solutions create an unmatched scientific management environment that can help science-based organizations create and connect biological, chemical and material innovations to improve the way we live. The industry-leading BIOVIA portfolio is focused on integrating the diversity of science, experimental processes and information requirements end-to-end across research, development, QA/QC and manufacturing. Capabilities over the areas of Scientific Informatics, Molecular Modeling/Simulation, Data Science, Laboratory Informatics, Formulation Design, BioPharma Quality & Compliance and Manufacturing Analytics. BIOVIA is committed to enhancing and speeding innovation, increasing productivity, improving quality and compliance, reducing costs and accelerating product development for customers in multiple industries. Manage and connect scientific innovation processes and information across the product lifecycle. -
22
Swiss-PdbViewer
Swiss-PdbViewer
Swiss-PdbViewer (aka DeepView) is an application that provides a user-friendly interface allowing to analysis of several proteins at the same time. The proteins can be superimposed in order to deduce structural alignments and compare their active sites or any other relevant parts. Amino acid mutations, H-bonds, angles, and distances between atoms are easy to obtain thanks to the intuitive graphic and menu interface. Swiss-PdbViewer (aka DeepView) has been developed since 1994 by Nicolas Guex. Swiss-PdbViewer was initially tightly linked to SWISS-MODEL, an automated homology modeling server developed within the Swiss Institute of Bioinformatics (SIB) at the Structural Bioinformatics Group at the Biozentrum in Basel. However, the SWISS-MODEL web interface evolved to a point where it is now possible to use it directly for advanced modeling. Maintaining a direct interface with Swiss-PdbViewer is too complex and no longer supported. -
23
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. -
24
Evo Designer
Arc Institute
Evo Designer is an advanced tool developed by the Arc Institute, leveraging the capabilities of the Evo 2 genomic foundation model to facilitate DNA sequence generation and analysis. This platform enables users to input nucleotide sequences or specify organisms, prompting the model to generate corresponding DNA sequences. It provides comprehensive annotations of coding regions and, for prokaryotic sequences, offers 3D protein visualizations utilizing ESMFold. Additionally, Evo Designer evaluates sequences by scoring their perplexity and per-nucleotide entropy, assisting researchers in assessing sequence complexity and variability. The underlying Evo 2 model is trained on over 9 trillion nucleotides from a diverse array of prokaryotic and eukaryotic genomes, employing a deep learning architecture that models biological sequences at single-nucleotide resolution with a context window extending up to 1 million tokens. -
25
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. -
26
MolView
MolView
MolView is an intuitive, Open-Source web application to make science and education more awesome! MolView is mainly intended as a web-based data visualization platform. You can use MolView to search through different scientific databases including compound databases, protein databases and spectral databases, and view records from these databases as interactive visualizations using WebGL and HTML5 technologies. This web application is built on top of the JavaScript libraries and online services listed below. The Virtual Model Kit has been a source of inspiration for the birth of this project.Starting Price: Free -
27
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. -
28
Nygen
Nygen
Nygen is a cloud-based single-cell RNA-seq (scRNA-seq) and multi-omics data analysis and discovery platform designed to let researchers upload, explore, visualize, analyze and interpret complex cellular datasets with an intuitive, no-code interface that supports drag-and-drop workflows and advanced scientific analysis without requiring programming expertise; it combines Nygen Analytics for rapid, reproducible scRNA-seq exploration with collaborative dashboards and publication-ready outputs, Nygen Database for accessing and hosting curated single-cell datasets to accelerate research and comparative studies, and Nygen Insights, an AI-augmented tool that delivers highly accurate cell annotations, in-depth disease impact analysis and tailored biological insights; it supports a wide range of data formats, integrates public data, enables secure cloud-based collaboration, and provides features like literature-linked evidence and biomarker-focused analyses. -
29
Structure Elucidator
ACD/Labs
Elucidate complex structures from experimental data with the help of expert algorithms. -
30
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. -
31
GPUEater
GPUEater
Persistence container technology enables lightweight operation. Pay-per-use in seconds rather than hours or months. Fees will be paid by credit card in the next month. High performance, but low price compared to others. Will be installed in the world's fastest supercomputer by Oak Ridge National Laboratory. Machine learning applications like deep learning, computational fluid dynamics, video encoding, 3D graphics workstation, 3D rendering, VFX, computational finance, seismic analysis, molecular modeling, genomics, and other server-side GPU computation workloads.Starting Price: $0.0992 per hour -
32
ChemCopilot
ChemCopilot
ChemCopilot is an AI-native chemical formulation and product lifecycle management platform designed to transform how scientists, engineers, and R&D teams design, test, optimize, and manage chemical products and processes by combining advanced artificial intelligence with domain-specific chemistry knowledge, regulatory data, simulation capabilities, and real-time insights. It automates validation of product labels, ingredient restrictions, and safety data sheets against global compliance frameworks, eliminating disconnected spreadsheets and manual review while providing audit trails and real-time alerts to support regulatory adherence. ChemCopilot accelerates innovation by simulating chemical reactions, molecular interactions, and process workflows to predict formulation performance and outcomes that traditional general-purpose tools cannot provide, and it integrates real-time data from laboratory and industrial systems to drive data-driven decisions. -
33
GPUonCLOUD
GPUonCLOUD
Traditionally, deep learning, 3D modeling, simulations, distributed analytics, and molecular modeling take days or weeks time. However, with GPUonCLOUD’s dedicated GPU servers, it's a matter of hours. You may want to opt for pre-configured systems or pre-built instances with GPUs featuring deep learning frameworks like TensorFlow, PyTorch, MXNet, TensorRT, libraries e.g. real-time computer vision library OpenCV, thereby accelerating your AI/ML model-building experience. Among the wide variety of GPUs available to us, some of the GPU servers are best fit for graphics workstations and multi-player accelerated gaming. Instant jumpstart frameworks increase the speed and agility of the AI/ML environment with effective and efficient environment lifecycle management.Starting Price: $1 per hour -
34
VeraChem
VeraChem
VeraChem LLC was founded in 2000 to advance the state of the art in computer-aided drug discovery and molecular design by developing computational chemistry methods that are based on cutting-edge basic science but are also applicable in applied science research settings. Efficient high-performance software implementations of these methods coupled with comprehensive user support are a central company strategy for product development. Current VeraChem software capabilities include protein-ligand and host-guest binding affinity prediction, fast calculation of accurate partial atomic charges for drug-like compounds, computation of energies and forces with all the commonly used empirical force fields, automatic generation of alternate resonance forms of drug-like compounds, conformational search with the powerful Tork algorithm, and automatic detection of topological and 3D molecular symmetries. VeraChem’s software packages are constructed from a modular code base. -
35
CADMATIC eBrowser
CADMATIC
Purchase your CADMATIC eBrowser annual or three-year subscription directly from our store. CADMATIC eBrowser makes project review a breeze. You can walk through your 3D model, combine several models in one, or compare models. You can also check collisions, easily locate objects and check their details, take measurements, import laser-scanned point clouds, and leave notes (markups) on top of the 3D model. Another great feature is the extremely small file size, only approx. 10MB per project. You can easily share your project 3D model via email or a messaging application like Microsoft Teams. eBrowser is used to navigate 3D models, combine multiple models into one, compare models, and manage 3D visualizations. With eBrowser you can check for collisions, easily locate and inspect objects, take measurements, import laser-scanned point clouds, and leave notes (markups) on top of the 3D model.Starting Price: $3,624 per month -
36
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. -
37
ProTicket
TicketReturn
ProTicket represents an industry-leading leap in Box Office ticketing technology and service. Utilizing off-the-shelf PCs and printers, TicketReturn™ eliminates the need for proprietary hardware, customized workstation software and closed system networks. From Box Office upgrades to startup installations, there is no simpler, more cost-effective solution to today’s increasing demand for advanced ticketing services. TicketReturn™ delivers turnkey management solutions with bundled annual software licensing for POS ticketing and customer account management services, detail and custom reporting, email customer interfaces, patron management and advanced database marketing services. All systems include real-time integration with TicketReturn™ Web hosting for online ticket sales, online customer account management and integration with existing customer Web sites. Three-year and five-year contract terms are available.Starting Price: $300 per month -
38
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. -
39
BIOVIA Materials Studio
Dassault Systèmes
BIOVIA Materials Studio is a comprehensive modeling and simulation environment designed to enable researchers in materials science and chemistry to predict and understand the relationships between a material’s atomic and molecular structure and its properties and behavior. Utilizing an "in silico first" approach allows for the optimization of material performance in a cost-effective virtual setting prior to physical testing. It supports a wide range of materials, including catalysts, polymers, composites, metals, alloys, pharmaceuticals, batteries, and more. It offers tools for quantum, atomistic, mesoscale, statistical, analytical, and crystallization simulations, facilitating the design of advanced materials across various industries. Features include the ability to accelerate innovation, reduce R&D costs through virtual screening, and improve efficiency by automating best practices within Pipeline Pilot. -
40
PromeAI
PromeAI
PromeAI is a powerful AI-driven design tool with a customizable library of AIGC style models that enables users to create stunning graphics, videos, and animations with ease. Whether you're an experienced professional or a novice, PromeAI has everything you need to turn your imagination into reality. It's an essential tool for architects, interior and product designers, as well as game and animation professionals.Starting Price: $39/month/user -
41
rBudget
rSquared CRE
rBudget’s powerful cloud-based software allows CRE professionals to build budgets and re-forecasts using data from all major accounting systems. Bi-directional synchronization saves time by eliminating input errors, and users can rest assured knowing software is always up to date. rBudget is an invaluable resource for CRE professionals who are responsible for developing and managing property and portfolio budgets. Create one, two and three-year budgets and forecasts with financial and lease data sourced from major accounting systems. Reduce costs through the SaaS model—no software or hardware to install, maintain or upgrade. Perform budgeting anytime, anywhere and from any device with an internet connection. -
42
AQBioSim
SandboxAQ
AQBioSim is a cloud-native platform developed by SandboxAQ that leverages Large Quantitative Models (LQMs) grounded in physics and chemistry to revolutionize materials discovery and optimization. By integrating Density Functional Theory (DFT), Iterative Full Configuration Interaction (iFCI), Generative AI, Bayesian Optimization, and Chemical Foundation Models, AQBioSim enables high-fidelity simulations of molecular and material behaviors under real-world conditions. AQBioSim's capabilities include predicting performance under various stresses, accelerating formulation through in silico testing, and exploring sustainable chemical processes. Notably, AQBioSim has demonstrated significant advancements in battery technology by reducing lithium-ion battery end-of-life prediction time by 95%, achieving 35x greater accuracy with 50x less data. -
43
AQChemSim
SandboxAQ
AQChemSim is a cloud-native platform developed by SandboxAQ that leverages Large Quantitative Models (LQMs) grounded in physics and chemistry to revolutionize materials discovery and optimization. By integrating Density Functional Theory (DFT), Iterative Full Configuration Interaction (iFCI), Generative AI, Bayesian Optimization, and Chemical Foundation Models, AQChemSim enables high-fidelity simulations of molecular and material behaviors under real-world conditions. AQChemSim's capabilities include predicting performance under various stresses, accelerating formulation through in silico testing, and exploring sustainable chemical processes. Notably, AQChemSim has demonstrated significant advancements in battery technology by reducing lithium-ion battery end-of-life prediction time by 95%, achieving 35x greater accuracy with 50x less data. -
44
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. -
45
InfoChem
DeepMatter
As part of the DeepMatter Group we continue to supply our platforms for Synthesis & Reaction Prediction, Information Extraction and Cheminformatics as well as DigitalGlassware®, the innovative cloud-based digital chemistry platform from DeepMatter™, that brings recordability, reproducibility and shareability to your lab at every stage of the discovery process, from planning your reaction to analyzing the outcome. We continue to work side-by-side with our clients and users developing cutting-edge software solutions to boost chemical research and inspire scientific workflows. DeepMatter has a differentiated portfolio of products that accelerate and optimize the hypothesis, design, and synthesis process. These products enable new compounds such as pharmaceuticals, agrichemicals, and performance chemicals to get to market faster.DigitalGlassware transforms your chemistry into code to improve your productivity in your laboratory. -
46
Magic Hour
Magic Hour
Magic Hour is a cutting-edge AI video creation platform designed to empower users to effortlessly produce professional-quality videos. Founded in 2023 by Runbo Li and David Hu, this innovative tool is based in San Francisco and leverages the latest open-source AI models in a user-friendly interface. With Magic Hour, users can unleash their creativity and bring their ideas to life with ease. Key Features and Benefits: ● Video-to-Video: Transform videos seamlessly with this feature. ● Face Swap: Swap faces in videos for a fun and engaging touch. ● Image-to-Video: Convert images into captivating videos effortlessly. ● Animation: Add dynamic animations to make your videos stand out. ● Text-to-Video: Incorporate text elements to convey your message effectively. ● Lip Sync: Ensure perfect synchronization of audio and video for a polished result. In just three simple steps, users can select a template, customize it to their liking, and share their masterpiece.Starting Price: $10 per month -
47
TM Cloud
TM Cloud
The TM Cloud Intellectual Property docketing software's daily status updates are automatically synced with the USPTO for all pending matters tracked in the account. This useful feature includes automatic docketing for new actions without the need for clerical input. Email and calendar notification are included. TM Cloud includes a unique audit feature in every account. It grants clients the ability to create and audit their data globally. Our software connects you to national and proprietary databases in 177 jurisdictions. Data sources include TMVIEW, national Trademark Office databases and TrademarkNow data. With TM Cloud no manual data entry is required for patent or trademark intake. The software easily downloads and inserts critical IP data including logo images, goods and patent abstracts. Ask about customized excel data transfers. Trademark record onboarding is free. -
48
Reaxys
Elsevier
Reaxys is a web-based tool developed by Elsevier for retrieving information about chemical compounds and data from published literature, including journals and patents. The platform provides access to chemical compounds, reactions, properties, related bibliographic data, substance data with synthesis planning information, and experimental procedures from selected journals and patents. Launched in 2009 as the successor to the CrossFire databases, Reaxys was designed to offer research chemists access to current and historical information in organic, inorganic, and organometallic chemistry through an intuitive interface. The platform covers over 200 years of chemistry, abstracted from thousands of journal titles, books, and patents. Its content includes data from selected journals and chemistry patents, focusing on entries that have a chemical structure, are supported by experimental facts, and have credible citations. -
49
Retail ViVA
Sathguru Software Products
We are a Cloud-based Enterprise Software Product Company specializing in vertical Enterprise Resource Planning (ERP) products. We have been serving global customers for more than 20 years and have nurtured a Customer-First approach to excellence. We are continually innovating on our products in order to provide our customers with the best possible offerings, take great pride in our customer relationship, and enabling a trusted partner approach. Our ERP products are developed using state-of-the-art technologies and are built for the cloud rather than modified to the cloud. With our extensive domain knowledge, we enable real digital transformation with our comprehensive coverage of enterprise operations A young Bachelor of Commerce graduate, encouraged by his visionary brother, joins a three-year diploma course titled “Computerized Financial Management” in a small institute. There were no formal training institutes. -
50
Prolis
American Soft Solutions
Developed by American Soft Solutions, Prolis is a professional laboratory information management system for hospitals and reference labs of all sizes. Purpose-built for multi-specialty laboratories and used in microbiology, chemistry, pathology, coagulation, molecular testing, and toxicology, Prolis helps users to efficiently manage and automate laboratory functions. Core components of Prolis include physician panels, a laboratory-barcode system, patient scheduling, audit trails, logistics monitoring, remote accessioning, integrated billing and reporting, a search tool for physicians, and so much more.
