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chemprop/chemprop

Message Passing Neural Networks for Molecule Property Prediction

https://github.com/chemprop/chemprop

chemprop

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contributors (According to the first 100)

swansonk14
yangkevin2
lhirschfeld
fhvermei
wengong-jin
yanfeiguan
cjmcgill
mliu49
hesther
apappu97
simonaxelrod
suleymanov
Enolerobotti
punnykin
ikmckenz
msteijaert
mbergins
oscarwumit
egottschalk
iwatobipen