Companies that make or sell software or related services for chemical applications, including molecular modeling and computational chemistry.
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- CompuChem Software for drawing chemical structures, visualize laboratory experiments, teaching, 3D visualisation of molecules and quantum chemistry.
- FQS Poland Reseller of various packages for chemistry, biochemistry, and materials science, including Cache and ChemOffice.
- CrystalMaker Software Crystal structures visualization and diffraction software for Macintosh.
- 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.
- Accelrys, Inc Producer of various molecular modeling and simulation software for both life and materials science research, like cerius, catalyst, insightII, quanta.
- Gaussian, Inc Contains manuals and other useful information related to the Gaussian98 program for quantum chemical calculation.
- 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.
- Wavefunction, Inc Producer of spartan, a quantum chemical calculation program with nice visualization opportunities.
- Hypercube, Inc Producer of HyperChem, a molecular modeling package for windows and HyperNMR, a program for prediction of one-dimensional NMR spectra.
- Tripos, Inc Producer of sybyl, a computational tool kit for molecular design and analysis.
- 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."
- 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.
- QuantumBio Develops solutions for Computer-Assisted Molecular Modeling and Computer-Assisted Drug Design, with emphasis on semiempirical quantum mechanics and bioinformatics.
- Chemical Simulations Group Software and consulting services to the pharmaceutical, biotechnology, and chemical industries.
- ChemAxon Programs, Java applets and other Java tools for chemistry, client-server applications, chemical databases, web site development.
- Q-Chem, Inc. Developer and provider of quantum chemistry software for ab initio electronic structure calculations.
- Daylight Chemical Information Systems Offers an integrated set of programs and libraries for chemical information processing. Based on the SMILES linear notation.
- Chemical Computing Group (CCG) Develops MOE, the Molecular Operating Environment, a package for high throughput discovery, bioinformatics, and computer aided molecular design.
- Semichem, Inc. Develops programs, such as AMPAC and CODESSA, based on semiempirical molecular orbital methods.
- Eidogen-Sertanty Provider of knowledge-based drug discovery solutions to biotechnology and pharmaceutical organizations through software, content, and collaborative service arrangements.
- 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.
- Parallel Quantum Solutions Manufactures parallel computers for high-performance computational chemistry.
- CHEMAPPS Specializes in the development of life science applications for medicinal chemistry professionals.
- gNova Scientific Software Provides consulting services and CHORD, a database cartridge for adding substructure search and other chemical functions to PosgreSQL.
- OpenEye Scientific Software Provides software and toolkits for structure-based drug design.
- 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.
- CambridgeSoft Computational, database, communication and drawing software for chemists.
- Quantumwise Producers of first-principles simulation software for nanoscience used to model the electronic structure of molecules, crystals and surfaces.
- Medit Providers of software solutions for molecular modelling and cheminformatics, using structural experimental data as the guideline for drug design.
- AKos Consulting & Solutions GmbH Provides chemoinformatics software to search, mine, calculate, simulate, store, register, enter, display, print, publish and correlate structures, reactions and data.
- Molecular Networks GmbH Software for drug design, combinatorial chemistry, organic reactions and synthesis, data mining, and data warehousing.