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apache-2.0

A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

drug torch pharma smiles biology pytorch geometry chemistry drug-pair torchdrug polypharmacy deep-learning deep-chemistry drug-discovery smiles-strings drug-interaction machine-learning graph-neural-network geometric-deep-learning

Created 2021-12-06

318 commits to main branch, last one about a year ago

unknown

Structure-Informed Protein Language Model

protein torchdrug protein-structure

Created 2024-02-07

4 commits to main branch, last one 10 months ago