Chemistry Software Companies in the Best of the Web Directory

Chemistry Software Companies

Accelrys, Inc

Sells molecular modeling and simulation software used for life and materials science research.


Highlights the development of life science applications used for professionals in the medicinal chemistry fields.

Chemical Simulations Group

Facilities software developments and consulting services for the pharmaceutical, biotechnology, and chemical industries.

Develops and vends software for use on the organic chemistry, mass spectroscopy, and quality control fields.


Proffers software products for use on chemical structures, laboratory experiments, teaching, molecular 3D visualization, and quantum chemistry applications.

CrystalMaker Software

Develops Macintosh software for use on crystal structures visualization and diffraction.

Desert Scientific Software

Developers of software for medicinal research focusing on structure based drug design and developing methods for predicting protein-ligand binding affinities.


Provides drug discovery solutions for biotechnology and pharmaceutical institutions by providing software, content, and collaborative service arrangements.

FQS Poland

Highlights the company’s packages for chemistry, biochemistry, and materials science purposes including the Cache and ChemOffice software.

Gaussian, Inc

Features manuals and references pertaining to programs used for quantum chemical calculations.

gNova Scientific Software

Highlights the CHORD software used as a database cartridge for adding substructure search and other chemical functions to PosgreSQL.

Hypercube, Inc

Produces the HyperChem software used for Windows and HyperNMR devices and assists in predicting one-dimensional NMR spectra.

Molecular Discovery Ltd.

Produces the GRID program used to determine energetically favorable binding sites on molecules.

Molecular Extended Distribution in Information Technology

Software developer for use in bioinformatics, cheminformatics and molecular modeling on the pharmaceutical, cosmetic, agrochemical, and biotechnology industries.

Molsoft L.L.C.

Highlights tools and services for the areas of structure prediction, bioinformatics, cheminformatics, molecular visualization, and rational drug design.

OpenEye Scientific Software

Proffers structure-based drug design software and toolkits used in the medical and research industries.

Parallel Quantum Solutions

Manufacturer of high-performance computational chemistry computers.

Q-Chem, Inc.

Offers quantum chemistry software used for electronic structure calculations in the medical research industries.


Highlights solutions for computer-assisted molecular modeling and computer-assisted drug design focusing on semiempirical quantum mechanics and bioinformatics.

Schrödinger, Inc

Produces the Jaguar quantum chemistry and the MacroModel molecular mechanics packages used on the medical industries.

Semichem, Inc.

Highlights the development of programs based on semiempirical molecular orbital methods.

Tripos, Inc

Produces the sibyl computational tool kit used for molecular design and analysis on medical applications.

Wavefunction, Inc

Develops chemical calculation programs. Shows support features and event opportunities.

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