Computational Chemistry
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The Chemistry Development Kit v.1.4.9
The Chemistry Development Kit (CDK) is a scientific, LGPL-ed library for bio- and cheminformatics and computational chemistry written in Java.
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Gabedit v.2.4.5
Gabedit is a graphical user interface to computational chemistry packages like Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, Orca, PCGamess and Q-Chem It can display a variety of calculation results including support for most major molecular
Gabedit for Linux v.2.4.5
Gabedit is a graphical user interface to computational chemistry packages like Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, Orca, PCGamess and Q-Chem It can display a variety of calculation results including support for most major molecular
MacMolPlt v.7.2.1
MacMolPlt is a Chemistry visualization tool that can be used to build molecules with an integrated graphical model builder, create input files for the GAMESS computational chemistry program, and then visualize the results of computational chemistry r
Ccwatcher v.rc
ccwatcher monitors the progress of computational chemistry calculations during runtime.
PerlMol v.0.47
PerlMol is a collection of Perl modules for chemoinformatics and computational chemistry with the philosophy that "simple things should be simple".
The CCP1GUI v.0.8
The CCP1GUI project aims to develop a free, extensible Graphical User Interface to various computational chemistry codes developed by the worldwide academic community, with an emphasis on ab initio Quantum Chemistry codes.
HyperChem v.8.0.9
HyperChem is a sophisticated molecular modeling environment that is known for its quality, flexibility, and ease of use.
Jmol v.13.0 RC 1
Jmol is an open-source Java viewer for chemical structures in 3D, with features for chemicals, crystals, materials and biomolecules. Jmol is a free, open source molecule viewer for students, educators, and researchers in chemistry and biochemistry.
Open Babel v.2.3.1
Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, biochemistry,
Molecular Descriptors Correlation v.1.0
The Molecular Descriptor Correlations is a free tool for the analysis of molecular descriptor correlations calculated on 221,860 molecules.