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ATOMScience-org
AMPL ATOMScience-org
68
136
mit
13
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
1,867 commits to master branch, last one about a month ago
ECP-CANDLE
Benchmarks ECP-CANDLE
83
58
mit
34
ECP-CANDLE Benchmarks
nci-doe-collaboration-capability
Created 2016-11-02
1,552 commits to master branch, last one 2 years ago