admet-prediction

admet-prediction is a skill for Claude Code from K-Dense-AI/drug-discovery-agent-skills. It costs 140 tokens per session (1,808 once invoked), scanned A, original, MIT.

A tool for predicting ADMET properties—how a drug-like compound is absorbed, distributed, changed by the body, removed, and potentially toxic—from its structure.

In plain words
What is it for?
Use it to predict these properties for a compound library, compare candidates with approved-drug reference data, and identify liabilities that may affect further testing.
Why use it?
It turns a large table of model estimates into a way to spot development problems early. Results are best used to compare compounds within the same series, not as exact measurements.

Skill for Claude Code

Written for Claude Code: allowed-tools in frontmatter. Also seen: built for openclaw.

Good fit Use it to predict these properties for a compound library, compare candidates with approved-drug reference data, and identify liabilities that may affect further testing.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/k-dense-ai/drug-discovery-agent-skills/admet-prediction
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 K-Dense-AI/drug-discovery-agent-skills --skill admet-prediction
Clone the repo
git clone --depth 1 https://github.com/K-Dense-AI/drug-discovery-agent-skills

Made for: Claude Code.

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 admet-prediction

README.md
[![agentmods](https://agentmods.dev/badge/skills/k-dense-ai/drug-discovery-agent-skills/admet-prediction/github.svg)](https://agentmods.dev/skills/k-dense-ai/drug-discovery-agent-skills/admet-prediction)
Your own site
<a href="https://agentmods.dev/skills/k-dense-ai/drug-discovery-agent-skills/admet-prediction"><img src="https://agentmods.dev/badge/skills/k-dense-ai/drug-discovery-agent-skills/admet-prediction/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 admet-prediction

Your own site · 80×15
<a href="https://agentmods.dev/skills/k-dense-ai/drug-discovery-agent-skills/admet-prediction"><img src="https://agentmods.dev/badge/skills/k-dense-ai/drug-discovery-agent-skills/admet-prediction.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 140 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 1,808 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. Third-party audits
  • NVIDIA SkillSpector pass 7 Sept 2026
How audits are shown
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 $0.00140 $0.01808
Opus 5 $0.00070 $0.00904
Sonnet 5 $0.00028 $0.00362
Haiku 4.5 $0.00014 $0.00181

Measured 12d ago against content hash 4684c76e2605, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-12, from the pricing page.

Security

Grade A, and why

admet-prediction 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 12d ago.

The scan reads SKILL.md. This mod also ships 2 executable files (scripts/admet_batch.py, scripts/admet_report.py), listed below but not scanned — reading those needs a real analyzer, not pattern matching.

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.

skills/admet-prediction/SKILL.md · 137 lines

How it starts

The opening of the file, as written. The whole thing — 137 lines — stays where its author put it; the contents beside it link to each section on GitHub.

ADMET Prediction

Potency gets a compound into a programme; ADMET decides whether it survives one. ADMET-AI is a Chemprop-RDKit graph network trained on 41 Therapeutics Data Commons datasets, tops the TDC ADMET leaderboard, and runs thousands of molecules a minute on a CPU. This skill is about reading its output as a developability verdict rather than a wall of numbers.

Tool: ADMET-AI 2.0.1, MIT, pip install admet-ai (requires Python 3.11+). Weights download on first use. No GPU needed. Checked against: PyPI 2.0.1, February 2026.

Read references/running-admet-ai.md before your first run, references/endpoints.md to know which endpoints actually stop programmes, and references/interpreting-predictions.md before acting on a number — that one is judgement, not syntax.

The two scripts

Script Answers
admet_batch.py How do I feed a library in without wasting the run?
admet_report.py Which of these compounds has a liability worth acting on?

Rank within a series; do not trust absolute values

This is the thing to get right. A public model has systematic offsets against your assay — different protocol, different lab, different chemistry. Within a congeneric series those offsets are largely shared, so the ordering survives even where the values do not.

Use predictions to decide which twenty of these hundred to make and assay. Do not use them to decide whether this compound will pass. A predicted hERG of 0.7 versus 0.3 within a series is a real signal; 0.7 in absolute terms is not a measurement.

The percentile column is the point

ADMET-AI reports every prediction against the distribution of approved drugs in DrugBank, in <endpoint>_drugbank_approved_percentile. It is the most useful thing the tool adds over a bare model and the column most often ignored.

"Predicted clearance 12" is hard to act on. "More extreme than 92% of approved drugs" prompts the right question: drugs exist out here, but not many — what is the argument that this one works?

Read the full file on GitHub · 137 lines

Files

What ships with it

5 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. 12d ago First seen · 137 lines · 140 tokens per session scan A 4684c76e2605

Subscribe to this mod's changes

admet-prediction is a skill published in the GitHub repository K-Dense-AI/drug-discovery-agent-skills (28 stars, last pushed 5d ago), licensed MIT. It adds 140 tokens to every session and 1,808 once invoked, about $0.0007 per session on Opus 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.