2 results found Sort:

ReactionMechanismGenerator
RMG-Py ReactionMechanismGenerator
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387
other
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Python version of the amazing Reaction Mechanism Generator (RMG).
python kinetics chemistry reactions thermodynamics chemistry-discovery
Created 2009-10-09
10,943 commits to main branch, last one 12 days ago
ATOMScience-org
AMPL ATOMScience-org
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136
mit
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The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.
python chemistry math-physics neural-network cheminformatics machine-learning chemistry-discovery nci-doe-collaboration-capability
Created 2019-11-07
1,859 commits to master branch, last one 17 days ago