small-molecule-design-tools SKILL.md skillA
This file is byte-identical to the first copy the registry indexed. Same content hash, so the same checks give both the same grade.
small-molecule-design-tools from biosymphony/small-molecules is an agent skill: a SKILL.md folder an AI agent loads when a task calls for it.
mdr add biosymphony/small-molecules/small-molecule-design-tools@git:20260921.dd04c81Pins git:20260921.dd04c81 in mdr.lock. Pin the fingerprint instead.
- Audit grade
- A, 17 of 17 checks passed
- Kind
- SKILL.md skill
- Repository
- biosymphony/small-molecules
- Path
skills/small-molecule-design-tools/SKILL.md- Versions recorded
- 5
- Latest version
- git:20260921.dd04c81, committed Sep 21, 2026
- First version recorded
- Jun 30, 2026
- Size
- 9,440 bytes
- Repository stars
- 6
- License
- MIT
Use when choosing or applying open or publicly documented small-molecule design, synthesis-planning, docking, binding-affinity, QSAR, ADMET, pocket-finding, or ligand-generation tools for work with public or synthetic data.
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
# Small-Molecule Design Tools Use this skill to choose small-molecule design tools, compare their required inputs and setup, and check their code, model, and data licenses. Use the skill in two passes: 1. Identify the physical or chemical task. 2. Open the matching reference file before recommending tools or writing code. For commercial or product-facing work, also open [references/licensing-and-data.md](references/licensing-and-data.md). Code, weights, data, and base-model terms often differ for the same upstream project. ## Reference Map Start with [references/tool-matrix.md](references/tool-matrix.md) when the user wants a broad comparison across categories. Makeability and synthesis: - [references/synthesizable-generation.md](references/synthesizable-generation.md): makeable molecule generation, analogs, make-on-demand libraries, and route co-generation. - [references/molecular-generation.md](references/molecular-generation.md): general molecule generators where validity matters more than synthesis route guarantees. - [references/retrosynthesis-planning.md](references/retrosynthesis-planning.md): …
Read the whole file at its exact version.
How to install
mdr add biosymphony/small-molecules/small-molecule-design-tools@sha256:46ad22e489361a5dThe line at the top of this page pins the label git:20260921.dd04c81, 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_ufpf6xf2n6x6ycgg)
1 badge image fetches in 30 days. What the badge shows.
Versions
The registry has recorded 5 versions of this file, between Jun 30, 2026 and Sep 21, 2026, about one every 21 days.
| version | committed | commit | size | audit | |
|---|---|---|---|---|---|
| git:20260921.dd04c81 latest | 2026-09-21 | dd04c81 | 9,440 B | A | view · diff |
| git:20260921.2151baa | 2026-09-21 | 2151baa | 9,330 B | A | view · diff |
| git:20260921.a080bee | 2026-09-21 | a080bee | 9,174 B | A | view · diff |
| git:20260830.9257ef9 | 2026-08-30 | 9257ef9 | 8,849 B | A | view · diff |
| git:20260630.45ff23a | 2026-06-30 | 45ff23a | 8,629 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 (9440 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
biosymphony/small-molecules · 6 stars · license MIT · pushed 2026-09-25 · branch main
API
GET https://markdownregistry.com/api/v1/artifacts/art_ufpf6xf2n6x6ycgg GET https://markdownregistry.com/api/v1/resolve?ref=biosymphony/small-molecules/small-molecule-design-tools GET https://markdownregistry.com/api/v1/blob/46ad22e489361a5db066e287b51202ec2b66c59e261762e2d21af0c14d870b13
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.
More from biosymphony/small-molecules
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