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scientific-computingresearch

deepchem

Molecular machine learning toolkit. Property prediction (ADMET, toxicity), GNNs (GCN, MPNN), MoleculeNet benchmarks, pretrained models, featurization, for drug discovery ML.

소스 보기 scientific-computing

maintainer

lifangda

업데이트됨 2025. 10. 29.

스타

포크

quick start

Installation and usage

Molecular machine learning toolkit. Property prediction (ADMET, toxicity), GNNs (GCN, MPNN), MoleculeNet benchmarks, pretrained models, featurization, for drug discovery ML.

설치

$ install --globalskills.sh

사용법

설치 후 터미널에서 다음 명령을 실행하여 이 스킬을 사용할 수 있습니다:

skills use deepchem