| name | boltz-small-molecule-adme |
| description | Predict Tier-1 ADME/ADMET for small molecules with Boltz from bare SMILES — no target, no docking. Use when the user wants solubility, permeability, or lipophilicity/logD for a molecule or list of molecules. Not for ranking molecules against a protein target (use boltz-small-molecule-screen, which already returns ADME free). |
Workflow
If boltz-api is missing from PATH, use boltz-cli-setup for install/update guidance before retrying.
If a command reports missing or expired authentication, use boltz-cli-setup to start boltz-api auth login --device-code before retrying; do not ask permission first.
If the agent host sandbox blocks boltz-api install/auth/API calls, use boltz-cli-setup to request the host sandbox bypass/escalation needed for user-wide CLI install, browser login, credential storage, temp files, or API access before retrying.
Use this skill for standalone ADME triage on SMILES the user already has. No protein target is involved. If the user is also screening or docking those molecules against a target, prefer boltz-small-molecule-screen — it returns the same ADME block free as part of the screen.
- Normalize the molecules from raw SMILES, a CSV (auto-detect the SMILES column),
.smi, or .txt into the molecules list. Each entry is {smiles, id?}; the optional id is echoed back as external_id on each result so you can map results to inputs.
- Hard cap: 128 molecules per request. If the list exceeds 128, split into batches of ≤128 and submit one request per batch (suffix the run name, for example
-b1, -b2), then merge results. Never send more than 128 in one call — the API rejects it with .
