Companies that make or sell software or related services for chemical applications, including molecular modeling and computational chemistry.

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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.
AKos Consulting & Solutions GmbH
Provides chemoinformatics software to search, mine, calculate, simulate, store, register, enter, display, print, publish and correlate structures, reactions and data.
Computational, database, communication and drawing software for chemists.
Specializes in the development of life science applications for medicinal chemistry professionals.
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.
Sells software for organic chemistry, mass spectroscopy, quality control, and general chemistry.
Chemistry Software for Windows. Includes structure drawing, MSDS management, chemical inventories, quality control, databases, data analysis, and education and training. Online purchasing available.
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.
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.
Providers of software solutions for molecular modelling and cheminformatics, using structural experimental data as the guideline for drug design.
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.
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.
Develops solutions for Computer-Assisted Molecular Modeling and Computer-Assisted Drug Design, with emphasis on semiempirical quantum mechanics and bioinformatics.
Producers of first-principles simulation software for nanoscience used to model the electronic structure of molecules, crystals and surfaces.
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.
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October 1, 2016 at 15:35:12 UTC
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