Builds molecular property prediction and MoleculeNet workflows with DeepChem, including SMILES featurization, scaffold or grouped holdouts, masked labels, graph models and explicit pretrained encoder transfer. Used for ADMET, toxicity, solubility and chemistry ML when DeepChem data/model contracts and scientific validation are needed.
安装
npx skills add K-Dense-AI/scientific-agent-skills --skill deepchemnpx skills add K-Dense-AI/scientific-agent-skills --skill deepchem -a claude-code -gnpx skills add K-Dense-AI/scientific-agent-skills --skill deepchem -a codex -ggemini skills install https://github.com/K-Dense-AI/scientific-agent-skills.git --path skills/deepchemgh skill install K-Dense-AI/scientific-agent-skills deepchemgit clone --depth 1 https://github.com/K-Dense-AI/scientific-agent-skills /tmp/K-Dense-AI__scientific-agent-skills
mkdir -p ~/.claude/skills ~/.agents/skills
cp -R /tmp/K-Dense-AI__scientific-agent-skills/skills/deepchem ~/.claude/skills/deepchem # Claude Code
cp -R /tmp/K-Dense-AI__scientific-agent-skills/skills/deepchem ~/.agents/skills/deepchem # Codex, Cursor, Gemini CLI, Copilot, OpenCode