currently: ML scientist @ Atomwise
formerly: PhD @coleygroup, lead dev @chemprop
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Atomwise
- NYC
- davidegraff.github.io
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chemprop/chemprop
chemprop/chemprop PublicMessage Passing Neural Networks for Molecule Property Prediction
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coleygroup/molpal
coleygroup/molpal Publicactive learning for accelerated high-throughput virtual screening
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coleygroup/pyscreener
coleygroup/pyscreener Publicpythonic interface to virtual screening software
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