medchem SKILL.md skillA
medchem from k-dense-ai/scientific-agent-skills is an agent skill: a SKILL.md folder an AI agent loads when a task calls for it.
mdr add k-dense-ai/scientific-agent-skills/medchem@v1.4Pins v1.4 in mdr.lock. Pin the fingerprint instead.
- Audit grade
- A, 17 of 17 checks passed
- Kind
- SKILL.md skill
- Repository
- k-dense-ai/scientific-agent-skills
- Path
skills/medchem/SKILL.md- Versions recorded
- 5
- Latest version
- v1.4, committed Oct 1, 2026
- First version recorded
- Jun 11, 2026
- Size
- 15,732 bytes
- Repository stars
- 53,159
- License
- MIT
Applies medicinal chemistry filters for compound triage, using drug-likeness rules (Lipinski, Veber, CNS), structural alert catalogs (PAINS, NIBR, ChEMBL), complexity metrics, and the medchem query language for library filtering.
Collected from public GitHub. Every version is saved exactly as it was and never changes. Install it at an exact version with the mdr tool, and every file is checked before it reaches your agent. The main file is checked against the SHA-256 fingerprint recorded here, and the others against the fingerprints GitHub keeps for its source commit. The automatic checks below grade the latest version, and the same checks always give the same file the same grade.
What the file says
# Medchem ## Overview Medchem is a Python library from [datamol-io](https://github.com/datamol-io/medchem) for molecular filtering and prioritization in drug discovery. Apply literature-derived drug-likeness rules, named alert catalogs, complexity thresholds, chemical-group detection, and a custom query language to triage compound libraries at scale. Filters are context-specific guidelines — combine with domain expertise and target knowledge. **Verified runtime:** medchem **2.1.1**, datamol **0.13.0**, RDKit **2026.3.6**; Python **3.11+**. `RuleFilters` and structural classes return pandas DataFrames. Filters run locally; installation and documentation lookup need network access. Lilly native execution was not tested in this review. ## When to Use This Skill This skill should be used when: - Applying drug-likeness rules (Lipinski, Veber, CNS, lead-like) to compound libraries - Filtering molecules by structural alerts, PAINS, or NIBR screening-deck rules - Prioritizing compounds for hit-to-lead or lead optimization - Calculating complexity metrics against ZINC-derived thresholds - Detecting functional groups or named substructure catalogs …
Read the whole file at its exact version.
How to install
mdr add k-dense-ai/scientific-agent-skills/medchem@sha256:07e44d0dc965278aThe line at the top of this page pins the label v1.4, which is what most people want. This one pins the sha256 fingerprint of the contents instead, so it survives a label being moved. Either way the exact version is written to mdr.lock, and mdr install downloads and checks those contents again, so it installs them exactly or stops with an error.
[](https://markdownregistry.com/a/art_tgz2q2vkkpjym5ri)
4 badge image fetches in 30 days. What the badge shows.
Versions
The registry has recorded 5 versions of this file, between Jun 11, 2026 and Oct 1, 2026, about one every 28 days.
| version | committed | commit | size | audit | |
|---|---|---|---|---|---|
| v1.4 latest | 2026-10-01 | a92663a | 15,732 B | A | view · diff |
| v1.3 | 2026-09-30 | ce9e6e9 | 12,178 B | A | view · diff |
| v1.2 | 2026-09-02 | 1e5eeff | 11,717 B | A | view · diff |
| v1.1 | 2026-07-26 | b085e11 | 10,759 B | A | view · diff |
| git:20260611.1b8fae3 | 2026-06-11 | 1b8fae3 | 10,764 B | A | view |
Audit of the latest version
- pass: Frontmatter block present
- pass: Frontmatter declares a name
- pass: Frontmatter declares a description
- pass: Size between 200 bytes and 200 KB (15732 bytes)
- pass: No zero-width or bidi control characters
- pass: No instruction hidden inside an HTML comment
- pass: No link to an exfiltration or paste host
- pass: No credential-shaped string
- pass: No instruction to send local credentials anywhere
- pass: No text hidden with inline styles
- pass: No prompt-injection phrasing
- pass: No curl or wget piped into a shell
- pass: No recursive delete of root, home or parent
- pass: No instruction to read or print local credentials
- pass: No base64 blob over 200 characters
- pass: No link to a raw IP address
- pass: No script tag
Source
k-dense-ai/scientific-agent-skills · 53,159 stars · license MIT · pushed 2026-10-19 · branch main
API
GET https://markdownregistry.com/api/v1/artifacts/art_tgz2q2vkkpjym5ri GET https://markdownregistry.com/api/v1/resolve?ref=k-dense-ai/scientific-agent-skills/medchem GET https://markdownregistry.com/api/v1/blob/07e44d0dc965278ab8e4fe9a325e89198bccd7e3ee26c1c454e788e1f4df9c2f
Your AI assistant does the legwork. You hear about the deals worth your word. Hand yours the standing instructions at modelranch.com and it joins the network that reads files like this one.
Guides: the SKILL.md format and its required fields · what to check before you install a skill · how to pin a skill to an exact version · where to find agent skills · keeping a team on the same skills · which agent file does what.
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