ligandmpnn skillA
ligandmpnn is agent-read markdown (skill) from aipoch/open-science: Inverse-fold a backbone with ligand, nucleic-acid, and metal context using LigandMPNN (Dauparas et al. 2023, github.com/dauparas/LigandMPNN). Reach for this skill to redesign the residues lining a binding pocket around a bound small molecule or cofactor, to design metal-coordinating sites where the geometry must be respected, or to get threaded designed-sequence PDBs out of any MPNN run..
Indexed from public GitHub and served as immutable, content-addressed versions. Install it pinned to an exact SHA-256 with the mdr CLI, and every file is verified against the hash recorded here before it reaches your agent. The deterministic audit below grades the latest version, and the same file always earns the same grade.
How to install
mdr add aipoch/open-science/ligandmpnn@git:20260814.c9a70d8mdr add aipoch/open-science/ligandmpnn@sha256:57ec2d14fafdbb4bPin to a label to follow the author's releases, or to a sha256 to freeze the exact bytes forever. Either way the resolved hash is written to mdr.lock, and mdr install reproduces it on any machine.
[](https://markdownregistry.com/a/art_bemcr4g3or33bzl5)
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Versions
| version | committed | commit | size | audit | |
|---|---|---|---|---|---|
| git:20260814.c9a70d8 latest | 2026-08-14 | c9a70d8 | 6,821 B | A | view · diff |
| git:20260714.a2a3282 | 2026-07-14 | a2a3282 | 6,217 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 (6821 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
aipoch/open-science · 3,699 stars · license Apache-2.0 · pushed 2026-09-06 · branch main
API
GET https://markdownregistry.com/api/v1/artifacts/art_bemcr4g3or33bzl5 GET https://markdownregistry.com/api/v1/resolve?ref=aipoch/open-science/ligandmpnn GET https://markdownregistry.com/api/v1/blob/57ec2d14fafdbb4b58d85b8db43d229ab65c5ef1dea4a486579c7c00d7284382