Software
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- Q-Chem, Inc.
- Developer and provider of quantum chemistry software for ab initio electronic structure calculations.
- 22
- QuantumBio
- Develops solutions for Computer-Assisted Molecular Modeling and Computer-Assisted Drug Design, with emphasis on semiempirical quantum mechanics and bioinformatics.
- 23
- Quantumwise
- Producers of first-principles simulation software for nanoscience used to model the electronic structure of molecules, crystals and surfaces.
- 24
- Semichem, Inc.
- Develops programs, such as AMPAC and CODESSA, based on semiempirical molecular orbital methods.
- 25
- Wavefunction, Inc
- Producer of spartan, a quantum chemical calculation program with nice visualization opportunities.
- 26
- gNova Scientific Software
- Provides consulting services and CHORD, a database cartridge for adding substructure search and other chemical functions to PosgreSQL.
- 27
- CACTVS System
- A distributed client/server system for the computation, management, analysis and visualization of chemical information of any type. Tool collection for several Unix flavors; some of the tools are distributed freely in precompiled form.
- 28
- Frowns
- Free chemoinformatics toolkit geared toward rapid development of chemistry related algorithms. Written in Python with a small portion written in C++.
- 29
- PerlMol
- Free Perl modules for molecular chemistry. Tutorial, reference manual, downloads and mailing list.
- 30
- Software Development Lohninger
- Software and programming components for Delphi and C++Builder covering mathematics, statistics, scientific graphing, and chemistry.
- 31
- Chemical Informatics Letters
- The latest news in chemical informatics, links to relevant web sites, analysis and discussion.
- 32
- Computational Chemistry List - Software
- Archive of chemistry software for Unix, MS-DOS, Windows, Mac. Includes source code in most cases.
- 33
- ChemBuddy
- Calculators for pH, solution preparation and concentration conversion, acid-base equilibrium, buffer, hydrolysis, and dilution calculations.
- 34
- Chemistry Functions
- Molar conversions and an interactive periodic table directly on the webpage. Requires JavaScript.
- 35
- Laborant Chemstation
- English version of German freeware data analysis program, for various calculations including stoichiometry, pH, thermochemistry, and kinetics.
- 36
- Norgwyn Montgomery Software
- NGMSI sells software for 3-D molecular modeling, chemical database creation and manipulation, 2-D publication quality drawing, calculation of over 100 physical properties from structure, automatic chemical internet database generation, and QSAR and QSPR analysis as well as chemical databases.
- 37
- Physicochemical Calculators
- Simple online and offline calculators for boiling point at reduced pressure, unit conversion, and molecular mass.