1.chemprop / chemprop
Message Passing Neural Networks for Molecule Property Prediction
+174 stars
from 2,341 · score 5.16
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2.chainer / chainer-chemistry
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
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3.bjodah / chempy
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+21 stars
from 638 · score 3.09
4.AstraZeneca / chemicalx
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
+14 stars
from 774 · score 2.71
5.mcs07 / MolVS
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+8 stars
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