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A software package for processing and analyzing chemical trajectories
macOS version of the USGS geochemical modeling code PHREEQC
GUI for MOPAC, DFTB+, GAMESS, Firefly, NWChem, ORCA and PSI4
Predicting Organic Reactions using Neural Networks.
A fast and versatile molecular dynamics program
A viewer for reaction maps among isomers
Comprehensive thermal analysis software package
Balance chemical reaction and compute material balance