Extract per-molecule embeddings from any encoder-bearing KERMT checkpoint. Use a local checkpoint or optionally download a pinned Hugging Face model bundle using HF_TOKEN if configured. Run containerized embedding extraction and write model bundles, per-readout .npy embeddings, canonical SMILES, and validity arrays to user-selected host directories.
Install
npx skills add NVIDIA/skills --skill kermt-embednpx skills add NVIDIA/skills --skill kermt-embed -a claude-code -gnpx skills add NVIDIA/skills --skill kermt-embed -a codex -ggemini skills install https://github.com/NVIDIA/skills.git --path skills/bionemo-kermt-embedgh skill install NVIDIA/skills kermt-embedgit clone --depth 1 https://github.com/NVIDIA/skills /tmp/NVIDIA__skills
mkdir -p ~/.claude/skills ~/.agents/skills
cp -R /tmp/NVIDIA__skills/skills/bionemo-kermt-embed ~/.claude/skills/kermt-embed # Claude Code
cp -R /tmp/NVIDIA__skills/skills/bionemo-kermt-embed ~/.agents/skills/kermt-embed # Codex, Cursor, Gemini CLI, Copilot, OpenCode