skills.homes logoskills.homescapability registry
home/categories/scientific-computing/lifangda-claude-plugins-cli-tool-skills-library-scientific-computing-cheminformatics-torchdrug-skill-md
cd ..
scientific-computingresearch

torchdrug

Graph-based drug discovery toolkit. Molecular property prediction (ADMET), protein modeling, knowledge graph reasoning, molecular generation, retrosynthesis, GNNs (GIN, GAT, SchNet), 40+ datasets, for PyTorch-based ML on molecules, proteins, and biomedical graphs.

소스 보기scientific-computing
lifangda
maintainer
lifangda
업데이트됨 10/29/2025
스타
32
포크
9
quick start

Installation and usage

Graph-based drug discovery toolkit. Molecular property prediction (ADMET), protein modeling, knowledge graph reasoning, molecular generation, retrosynthesis, GNNs (GIN, GAT, SchNet), 40+ datasets, for PyTorch-based ML on molecules, proteins, and biomedical graphs.

설치
$ install --globalskills.sh
사용법

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

skills use torchdrug