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Reproduction of HamNet, PhysChem and other models on small molecules

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Name		Name	Last commit message	Last commit date
Latest commit History 4 Commits
data		data
net		net
train		train
README.md		README.md
script_split_dataset.py		script_split_dataset.py

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MoleculeClub

Reproduction of HamNet, PhysChem and other models on small molecules

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Reproduction of HamNet, PhysChem and other models on small molecules

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