- Accelrys, Inc - Producer of various molecular modeling and simulation software for both life and materials science research, like cerius, catalyst, insightII, quanta.
- Advanced Chemistry Development - Specializes in Windows and applet-based software for structure drawing, nomenclature, NMR processing and prediction, chemical databases, and prediction of physicochemical properties.
- CambridgeSoft - Computational, database, communication and drawing software for chemists.
- CHEMAPPS - Specializes in the development of life science applications for medicinal chemistry professionals.
- ChemAxon - Programs, Java applets and other Java tools for chemistry, client-server applications, chemical databases, web site development.
- Chemical Computing Group (CCG) - Develops MOE, the Molecular Operating Environment, a package for high throughput discovery, bioinformatics, and computer aided molecular design.
- Chemical Simulations Group - Software and consulting services to the pharmaceutical, biotechnology, and chemical industries.
- Chemistry-Software.com - Sells software for organic chemistry, mass spectroscopy, quality control, and general chemistry.
- ChemSW - Chemistry Software for Windows. Includes structure drawing, MSDS management, chemical inventories, quality control, databases, data analysis, and education and training. Online purchasing available.
- CompuChem - Software for drawing chemical structures, visualize laboratory experiments, teaching, 3D visualisation of molecules and quantum chemistry.
- CrystalMaker Software - Crystal structures visualization and diffraction software for Macintosh.
- Daylight Chemical Information Systems - Offers an integrated set of programs and libraries for chemical information processing. Based on the SMILES linear notation.
- Desert Scientific Software - Provides software for medicinal research. Focused in structure based drug design and developing methods for predicting protein-ligand binding affinities. Develops web applications for protein databases and visualization.
- Eidogen-Sertanty - Provider of knowledge-based drug discovery solutions to biotechnology and pharmaceutical organizations through software, content, and collaborative service arrangements.
- FQS Poland - Reseller of various packages for chemistry, biochemistry, and materials science, including Cache and ChemOffice.
- Gaussian, Inc - Contains manuals and other useful information related to the Gaussian98 program for quantum chemical calculation.
- gNova Scientific Software - Provides consulting services and CHORD, a database cartridge for adding substructure search and other chemical functions to PosgreSQL.
- Hypercube, Inc - Producer of HyperChem, a molecular modeling package for windows and HyperNMR, a program for prediction of one-dimensional NMR spectra.
- MDL Information Systems - A wide variety of data management, analysis, and visualization tools: ISIS, Chemscape, Sculpt and Assay Explorer. Some free downloads including ISIS/Draw and Chime.
- MEDIT - Molecular Extended Distribution in Information Technology - French company working on software development and services in bioinformatics, cheminformatics and molecular modeling. Offers in-silico services for research and development in pharmaceutical, cosmetic, agrochemical, and biotechnology industries.
- Metaphorics, LLC. - Software and databases for docking.
- Molecular Discovery Ltd. - Producer of GRID, a program for determining energetically favorable binding sites on molecules of known structure, and other "tools to derive high quality 3D descriptors with the purpose to link Structure-Based Drug Design, Chemoinformatics and Bioinformatics."
- Molecular Networks GmbH - Software for drug design, combinatorial chemistry, organic reactions and synthesis, data mining, and data warehousing.
- Molfunction - Institute of Molecular Function - Producer of Homology Modeling for HyperChem, Gaussian Interface for HyperChem, ONIOM Interface for Receptor, and Docking Study with HyperChem.
- MolMo Services: a Molecular Modeling and Drug Design Company - Software for chemoinformatics, bioinformatics, and drug design; consulting services for the chemical and pharmaceutical industry.
- Molsoft L.L.C. - Provider of tools, databases and consulting services in the area of structure prediction, bioinformatics, cheminformatics, molecular visualization, and rational drug design.
- OpenEye Scientific Software - Provides software and toolkits for structure-based drug design.
- Parallel Quantum Solutions - Manufactures parallel computers for high-performance computational chemistry.
- Q-Chem, Inc. - Developer and provider of quantum chemistry software for ab initio electronic structure calculations.
- QuantumBio - Develops solutions for Computer-Assisted Molecular Modeling and Computer-Assisted Drug Design, with emphasis on semiempirical quantum mechanics and bioinformatics.
- Schrödinger, Inc - Producer of the Jaguar quantum chemistry package and the MacroModel molecular mechanics package.
- Scientific Instrument Services - SIMION ion optics software and more than 200 scientific software products in mass spectrometry, chromatography, quality control, chemical inventory, MSDS, molecular modeling, database, and plotting. Online ordering.
- Semichem, Inc. - Develops programs, such as AMPAC and CODESSA, based on semiempirical molecular orbital methods.
- Tripos, Inc - Producer of sybyl, a computational tool kit for molecular design and analysis.
- Wavefunction, Inc - Producer of spartan, a quantum chemical calculation program with nice visualization opportunities.
