AstraZeneca/chemicalx · AI Repo StatsASAstraZeneca/chemicalx
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
Training & fine-tuningPython Apache-2.0 101created 2021-12-06 #biology#chemistry#deep-chemistry#deep-learning#drug#drug-discovery#drug-interaction#drug-pair#geometric-deep-learning#geometry#graph-neural-network#machine-learning#pharma#polypharmacy#pytorch#smiles#smiles-strings#torch#torchdrug