boltz-small-molecule-adme

boltz-small-molecule-adme is a skill for Codex from boltz-bio/boltz-api-skills. It costs 84 tokens per session (1,593 once invoked), scanned A, original, MIT.

A workflow for predicting basic ADME properties of small molecules from SMILES strings. ADME describes how a substance is absorbed, distributed, metabolized, and eliminated; no protein target is needed.

In plain words
What is it for?
Use it to assess solubility, permeability, or lipophilicity/logD for one molecule or a list of up to 128 molecules.
Why use it?
It provides early drug-property estimates without docking molecules to a protein or building a target-specific screen.

Skill for Codex

Written for Codex: agents/openai.yaml present. Also seen: positional $N argument.

Good fit Use it to assess solubility, permeability, or lipophilicity/logD for one molecule or a list of up to 128 molecules.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/boltz-bio/boltz-api-skills/boltz-small-molecule-adme
Install

Getting it into your agent

One page per mod, every tool's command on it. A separate URL per tool would split the same page into five that compete with each other.

Any agent
npx skills add boltz-bio/boltz-api-skills --skill boltz-small-molecule-adme
Clone the repo
git clone --depth 1 https://github.com/boltz-bio/boltz-api-skills

Made for: Codex.

Wrote this? Show the measurements

A badge with what this costs and how it scanned, read live from this page, so it follows the numbers instead of freezing them. Markdown for a README, HTML for a documentation site or a project page.

agentmods badge for boltz-small-molecule-adme

README.md
[![agentmods](https://agentmods.dev/badge/skills/boltz-bio/boltz-api-skills/boltz-small-molecule-adme/github.svg)](https://agentmods.dev/skills/boltz-bio/boltz-api-skills/boltz-small-molecule-adme)
Your own site
<a href="https://agentmods.dev/skills/boltz-bio/boltz-api-skills/boltz-small-molecule-adme"><img src="https://agentmods.dev/badge/skills/boltz-bio/boltz-api-skills/boltz-small-molecule-adme/github.svg" alt="Measured on agentmods" height="20"></a>

Or the 80×15 button, for a site that already has a row of RSS and ATOM ones. Only the verdict fits; the numbers stay here.

agentmods 80×15 button for boltz-small-molecule-adme

Your own site · 80×15
<a href="https://agentmods.dev/skills/boltz-bio/boltz-api-skills/boltz-small-molecule-adme"><img src="https://agentmods.dev/badge/skills/boltz-bio/boltz-api-skills/boltz-small-molecule-adme.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 84 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 1,593 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 0 findings. A grade says what 26 rules found in the file — not that it is safe.
Origin original No closer match found in the catalogue.
Token cost

What it costs to keep this loaded

Counted locally with the o200k_base tokenizer, which is exact for GPT models; Claude uses its own tokenizer and its counts differ. Treat this as one consistent yardstick across the catalogue rather than a bill. Prices are per million input tokens.

ModelPer sessionOnce invoked
Fable 5.1 $0.00084 $0.01593
Opus 5.5 $0.00034 $0.00637
Sonnet 5.5 $0.00017 $0.00319
Haiku 4.5 $0.00008 $0.00159

Measured 2mo ago against content hash 9f6342a6af19, method: parsed. Prices are Anthropic first-party input rates as of 2026-10-07, from the pricing page.

Security

Grade A, and why

boltz-small-molecule-adme scanned grade A with 0 findings against 26 rules in 11 categories — prompt injection, anti-refusal, data exfiltration, privilege escalation, supply chain, agent snooping, system-prompt leakage, SSRF and excessive agency — measured 2mo ago.

A static scan of the body, not an audit. Every finding is printed with the line that produced it so you can judge whether it matters here. A mod is markdown that instructs an agent; that is exactly why what it instructs is worth reading.

Nothing flagged

None of the 26 patterns this scan looks for appear in this file: no shell pipes, no recursive deletes, no credential paths, no hidden text, no instruction-override or anti-refusal phrasing, no agent-config snooping. That is not a guarantee, it is the absence of the things that are checkable.

plugins/boltz-api-cli/skills/boltz-small-molecule-adme/SKILL.md · 70 lines

How it starts

The opening of the file, as written. The whole thing — 70 lines — stays where its author put it; the contents beside it link to each section on GitHub.

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.

  1. 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.
  2. 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 VALIDATION_ERROR: input.molecules must contain at most 128 items.
  3. Author the payload YAML or JSON, run estimate-cost, show the USD cost, wait for explicit confirmation. ADME is priced at $0.01 per molecule (size-independent); estimate-cost returns the authoritative total — always quote it.
  4. run to submit and wait — ADME finishes in seconds, so it is synchronous and needs no background polling. run persists results locally under --root-dir/<run-name>/.
  5. Report from <output-root>/<run-name>/run.json → output.molecules[]. For each molecule show external_id (or smiles), solubility, permeability, and lipophilicity. The three values live under each molecule's adme object. Call out any molecule with status: failed and its error (an object {code, message}, e.g. code adme_enumeration_failed, message Invalid SMILES) — adme is null there; one bad SMILES fails only that molecule, not the batch. Read references/results.md for the output layout and references/api.md for the payload and batching details.

ADME values are approximate estimates for triage and ranking, not absolute measurements.

Read the full file on GitHub · 70 lines

Files

What ships with it

3 files beside SKILL.md in the same directory: the scripts, references and assets a skill reads on demand. Not counted in the per-session cost; read them before you install if any of them is executable.

Changes

What this file has done since we first saw it

Hashed on every crawl. A supply-chain change to an agent config is a question of when, not whether, so the history is kept rather than the latest state alone.

  1. 2mo ago Changed 9f6342a6af19
  2. 2mo ago First seen · 70 lines · 84 tokens per session scan A 3cb1550e214e

Subscribe to this mod's changes

boltz-small-molecule-adme is a skill published in the GitHub repository boltz-bio/boltz-api-skills (5 stars, last pushed 13d ago), licensed MIT. It adds 84 tokens to every session and 1,593 once invoked, about $0.0003 per session on Opus 5.5. A static security scan graded it A with 0 findings. No closer match exists in the catalogue, so it is treated as the original; first seen 2026-08-30.

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