Alternatives to MolPad
Compare MolPad alternatives for your business or organization using the curated list below. SourceForge ranks the best alternatives to MolPad in 2026. Compare features, ratings, user reviews, pricing, and more from MolPad 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
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. -
3
ChemSketch
ACD/Labs
Comprehensive molecular structure drawing and naming. Draw chemical structures and communicate your science. -
4
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. -
5
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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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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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. -
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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). -
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MoluCAD
New River Kinematics
MoluCAD is a full-featured molecular modeling and visualization tool designed for Windows. It is the result of a three-year National Institutes of Health biomedical technology research project aimed at producing low-cost educational software for chemistry students. The latest version incorporates many advanced features only found in expensive workstation-based modeling packages. Ease of use, premium graphical quality, and computational robustness are the trademarks of MoluCAD. Novice users are able to quickly generate models, view them form any perspective, create reaction animations, and save all data to disk. -
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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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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. -
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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. -
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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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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. -
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BIOVIA COSMO-RS
Dassault Systèmes
BIOVIA COSMO-RS is a comprehensive toolbox for modeling and predicting fluid phase properties, enabling chemical engineers, chemists, formulation engineers, and materials scientists to research and develop new solutions faster and more efficiently than with test and experimentation alone, thus accelerating innovation and reducing costs. COSMO-RS simulations are based on a sound scientific theory, which ensures robust and reliable predictions over the whole range of chemistry in the liquid state. The first-principle approach allows for predictions of new, not yet synthesized compounds, reaching beyond the known chemical space. BIOVIA’s COSMO team consists of the original inventors of COSMO-RS, assuring timely support and prime expertise to help solve even the most challenging problems in solution thermodynamics. Key benefits include a robust scientific foundation combining quantum chemistry and thermodynamics to ensure accuracy and reliability. -
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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. -
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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 -
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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. -
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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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iChemistry
Intersolia
Since 1999, we’ve been providing our customers with the market’s most complete chemical management solution, developed in collaboration with our customers and our market-leading experts. iChemistry is our cloud-based solution for the end users in the chemical management supply chain. Our software helps you manage environmental, health, and safety performance, ensure compliance, minimize risk, and improve profitability. Create and distribute safety sheets so that you can identify risks, prevent accidents, and reduce workplace hazards. Comply with government requirements such as REACH or GHS. Become more sustainable by working proactively to reduce hazardous chemicals. Increase efficiency and control, so that you can free up more time and resources. With iChemistry, you also get access to our integrated SDS service that has one of Europe’s largest databases for safety data sheets. All of our SDS are digitized, which means that you get instant access to all essential information.Starting Price: Free -
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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. -
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SciveraLENS
Scivera
Screen formulations for sourcing and product development. Use our 23 toxicological endpoint system to proactively identify potential issues and find safer alternatives. Understand your company’s chemical footprint. Manage compliance and certification requirements automatically. Simplify data gathering, list-screening, and chemical hazard assessments with an easy-to-understand interface. Benefit from the world’s largest Safer Chemistry Knowledge Base with more than 4,000 Verified Chemical Hazard Assessments from Scivera’s board-certified toxicologists. Build a configurable plan to fit your needs and budget. Whether you’re a supplier or a brand, feel confident submitting or receiving chemical reports with redacted information that protects intellectual property while providing necessary chemical safety information. -
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Structure Elucidator
ACD/Labs
Elucidate complex structures from experimental data with the help of expert algorithms. -
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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. -
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Alchemy Cloud
Alchemy
Alchemy is an enterprise SaaS company helping to modernize the $1 trillion global specialty chemicals industry. Alchemy helps specialty chemicals companies accelerate their formula development and commercialization processes, be more responsive to customers, and grow top line revenue. With Alchemy's Chemistry Acceleration Software, customers increase lab capacity, accelerate chemistry innovation, and grow sales. From concept to chemistry, Alchemy accelerates product development and improves service delivery for chemicals and materials companies. Whether you’re working on fundamental R&D, new products or helping customers get the most from your current products, Alchemy accelerates your lab, sales and service processes so you can speed time to revenue on new product development, decrease lab cost per sale and improve customer responsiveness. Industry-specific software to accelerate chemistry development, sales and service. -
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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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Ansys Chemkin-Pro
Ansys
Ansys Chemkin-Pro is the industry leader for modeling complex, chemically reacting systems. It has been extensively validated in numerous chemistry applications and is well known for its extremely fast simulation time. Today’s energy standards call for high yields, efficiency and quality with minimal byproduct or waste. Ansys Chemkin-Pro is a chemical kinetics simulator that models idealized reacting flows and provides insight into results before production testing. Relying on testing alone for verifying chemical processes is prohibitive, given today’s shortened design cycles. Effective simulation is critical for cost-effective designs and gets your product to market faster. Mitsuo Koshi is a world-renowned chemical kineticist who also happens to be an avid fireworks fan. He is responsible for judging prestigious fireworks competitions across Japan. Every year, firework displays become grander and more fantastic, but this is paired with increased emissions. -
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NobleAI
NobleAI
NobleAI enables companies to accelerate the development of better-performing, more environmentally sustainable, and reliably sourced chemical & material products. At NobleAI, we believe that materials science and chemistry are key to building a sustainable world and that AI is essential to unlock this potential. NobleAI’s science-based AI is a powerful fusion of novel artificial intelligence techniques and all available scientific knowledge, optimized for product development. This combination of data-driven insights and scientifically guided design delivers much higher levels of accuracy with far less data and training time. This delivers deeper insights while exhibiting greater transparency, interpretability, and scientific fidelity. -
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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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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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BIOVIA COSMOtherm
Dassault Systèmes
BIOVIA COSMOtherm is an advanced COSMO-RS implementation that combines quantum chemistry and thermodynamics to predict thermodynamic properties of liquids. It calculates the chemical potential of molecules in pure or mixed liquids across variable temperatures, enabling the prediction of properties such as solubility, partitioning, vapor pressure, and phase diagrams. Unlike other methods, COSMOtherm applies thermodynamically consistent equations to predict properties as functions of concentration and temperature. Key features include the ability to predict solubility of liquids, solids, and gases; activity coefficients; two-phase partitioning (e.g., LogP); phase behavior; vapor pressures; free energy of solvation; pKa; energy of transfer to liquid-liquid interfaces; micelle and membrane partitioning; and interfacial tension. COSMOtherm offers an easy-to-use graphical interface and a command-line version for seamless integration into existing workflows. -
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PhysChem Suite
ACD/Labs
Calculate physicochemical properties such as aqueous solubility, boiling point, logD, logP, pKa, Sigma, and other molecular descriptors for organic compounds, from chemical structure. -
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ACD/Name
ACD/Labs
Generate chemical names for structures and produce structures from names according to IUPAC rules. Easily handles challenging areas of nomenclature, and translates chemical names into over 20 languages. -
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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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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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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. -
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Chemical Watch
Chemical Watch
Chemical Watch is the leading global provider of independent intelligence and insight for product safety professionals managing chemicals. Chemical Watch is the world’s most valued chemical safety and regulatory intelligence network and trusted partner to a global community of businesses, regulators and other stakeholders. Join the Chemical Watch community today to empower your business. Comprehensive structured product compliance data solution providing coverage of product regulations across all jurisdictions, including legal documentation, expert analysis and summaries. Attend our virtual conferences to take part in interactive question and answer sessions, ‘ask the expert’ themed networking tables and informative presentations, all from the comfort of your home or office. Network with fellow delegates and conference speakers in our dedicated virtual networking areas – just like you would at a live event. -
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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. -
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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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Arxspan
Arxspan
Arxspan's Electronic Lab Notebook is a fully integrated cloud platform for scientific data management that combines chemistry and biology data in one system. It is perfectly designed to enhance collaborative research across internal teams & external partners. Support for chemistry and biology experiments and workflows in single cloud ELN. Keyword, advanced, and chemical searching. Attachment and in-line editing for all Microsoft Office, image, and instrument files. Deployment in the private, secure Arxspan Cloud environment eliminates costly hardware acquisition, maintenance and IT overhead. Out of box integration with legacy electronic laboratory notebook systems. View and/or write sharing capabilities at notebook and project level. Configurable user role and permission hierarchies. Experiment signing and witnessing workflows. SAFE BioPharma compatibility for multi-factor capabilities. Support for validation of system and system updates. -
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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. -
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Edumentors
Edumentors
Edumentors is an online tutoring platform connecting students with UK’s best online tutors from top universities such as Cambridge, Oxford, Warwick, etc. Expert 1-1 tutors help students with exam preparation in 11plus, GCSE and A-Levels. Parents can find and book private tutors for all school subjects including English, Physics and Maths, Biology, Chemistry and others.Starting Price: £15 -
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Physics Wallah
Physics Wallah
Live classes, video lectures, test series, lecture-wise notes, topic-wise assignments with best questions, dynamic exercises and much more. Almost 90% of the content on this app is for free and will always be. The founder, Alakh Pandey stands for education for every child irrespective of its economic status. Physics Wallah is a free education Andriod app. This app is beneficial for students who prepare for IIT JEE & NEET examination. Physics Wallah app is launched by the Alakh Pandey Sir. Students can get the study materials for class 10th, class 11th, class 12th, and IIT JEE / NEET exam from this app. Students can get video lectures on physics and chemistry from this app. All study material on this app is totally free. Students need to download the application from the Google Play Store and install it by using their mobile number. After installation, students can use the app for exam preparation and live tests. -
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Suapr
Suapr
World's First AI Interactive Learning Platform. Suapr aims to revolutionize education by providing an advanced, AI-driven platform that enhances learning experiences for students and teachers. Our mission is to make learning engaging, personalized, and effective for every student, particularly in maths, biology, physics, and chemistry. In its early development stage, Suapr leverages AI to deliver personalized learning paths and detailed insights into student performance, creating customized paths that adapt to individual learning styles. Interactive elements like quizzes, games, and multimedia content are designed to keep students motivated and engaged. The platform offers comprehensive support with step-by-step solutions for complex problems, AI-driven insights for teachers, and personalized daily reports sent to teachers, parents, and students. Though still in its initial phases, Suapr is poised to make a significant impact on student performance and engagement.Starting Price: $5/month/user -
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Vicinity
Vicinity Software
At Vicinity, we help batch manufacturers operate more efficiently, produce superior products, & drive smart growth with a software system that accommodates the complexities of formula-based manufacturing. By implementing Vicinity software, you can eliminate outdated, basic, or multiple disjointed systems, & start maximizing your manufacturing capabilities. We help formula-based manufacturers manage limitless recipes, improve inventory visibility and control, enhance quality assurance, eliminate redundancies, and reduce costs. We are committed to providing a valuable, feature-rich solution at an affordable price, so that it is accessible to businesses at any stage of growth. Vicinity’s scalability makes it a top choice among chemical manufacturers, food producers, and brewers. It integrates easily with key platforms—including QuickBooks or Microsoft Dynamics—to deliver a comprehensive software solutionStarting Price: $250.00/month/user -
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IPA can also be used for analysis of small-scale experiments that generate gene and chemical lists. IPA allows searches for targeted information on genes, proteins, chemicals, and drugs, and building of interactive models of experimental systems. Data analysis and search capabilities help in understanding the significance of data, specific targets, or candidate biomarkers in the context of larger biological or chemical systems. The software is backed by the Ingenuity Knowledge Base of highly structured, detail-rich biological and chemical findings. Learn more about QIAGEN Ingenuity Pathway Analysis (IPA). Comparison Analysis determines the most significant pathways, upstream regulators, diseases, biological functions, and more, across time points, dose, or other conditions.
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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. -
48
NMR Predictors
ACD/Labs
Predict 1D and 2D NMR spectra from structures. From experimental design to data interpretation, NMR predictors can significantly speed up your workflow. Use this software to: - Predict a complete set of 1D and 2D NMR spectra, for 1H, 13C, 15N, 19F, and 31P nuclei from a chemical structure - Calculate chemical shifts and coupling constants in seconds - Train the algorithms with in-house data to improve accuracy for novel chemical space -
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Xam.World
QST Online Ltd.
A very easy, economical way to create, administer, mark and analyze online exams, quizzes, and surveys. A complete free Open Source version is also available for those whose privacy requirements mandate an on-premises solution. A GradeBook is included to enter marks for other assignments and mark and weigh all for a Total Assessment Solution. The numerous features: Immediate detailed results, Create/Export/Import/Convert Questions, WYSIWYG/Math-Chemistry/Basic Editors, Question Bank, Multiple Question Types, Multiple Delivery Styles, Multiple Delivery Options, Multiple Results Options, Randomly Chosen Questions, Branching/Adaptive Questions, Auto Marking, Print a QST, Bulk upload students/instructors/classes, Real time results and many more, empower you to understand your users. We also take feature requests and will develop them if we believe they are something that a complete Assessment Solution should incorporate. We are an Open Source vendor building an open source product.Starting Price: $4.99 US/month all features -
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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.
