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chemprop
chemprop PublicForked from chemprop/chemprop
Message Passing Neural Networks for Molecule Property Prediction
Python 2
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dmqp_2017_team_yellow
dmqp_2017_team_yellow PublicForked from qbicsoftware-archive/dmqp_2017_team_yellow
DMQB 2017 Team Yellow data repository
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UGM_2020
UGM_2020 PublicForked from rdkit/UGM_2020
Materials from the (virtual) 2020 RDKit UGM
Jupyter Notebook 1
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ChIRo
ChIRo PublicForked from keiradams/ChIRo
Public Implementation of ChIRo from "Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations"
Python 1
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torchdrug
torchdrug PublicForked from DeepGraphLearning/torchdrug
A powerful and flexible machine learning platform for drug discovery
Python 1
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