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.
安装
npx skills add davila7/claude-code-templates --skill torchdrugnpx skills add davila7/claude-code-templates --skill torchdrug -a claude-code -gnpx skills add davila7/claude-code-templates --skill torchdrug -a codex -ggemini skills install https://github.com/davila7/claude-code-templates.git --path cli-tool/components/skills/scientific/torchdruggh skill install davila7/claude-code-templates torchdruggit clone --depth 1 https://github.com/davila7/claude-code-templates /tmp/davila7__claude-code-templates
mkdir -p ~/.claude/skills ~/.agents/skills
cp -R /tmp/davila7__claude-code-templates/cli-tool/components/skills/scientific/torchdrug ~/.claude/skills/torchdrug # Claude Code
cp -R /tmp/davila7__claude-code-templates/cli-tool/components/skills/scientific/torchdrug ~/.agents/skills/torchdrug # Codex, Cursor, Gemini CLI, Copilot, OpenCode