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Top 1 deep-chemistry open source projects
chemicalx
A PyTorch and TorchDrug based deep learning library for drug pair scoring.
✭ 176
python
shell
machine-learning
deep-learning
chemistry
geometry
biology
torch
pytorch
drug-discovery
drug
smiles
pharma
geometric-deep-learning
graph-neural-network
drug-interaction
polypharmacy
smiles-strings
deep-chemistry
drug-pair
torchdrug
1-1
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