k-dense-ai/scientific-agent-skills · skills/diffdock/SKILL.md
diffdock skillA
DiffDock and DiffDock-L molecular docking. Use for protein-small-molecule pose prediction from PDB or sequence plus SMILES/SDF/MOL2, batch docking, virtual screening, and pose-confidence interpretation. Not for binding affinity prediction.
Latest version
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Versions
| version | committed | commit | size | audit | |
|---|---|---|---|---|---|
| v1.3 latest | 2026-09-02 | 1e5eeff | 17,354 B | A | view · diff |
| v1.2 | 2026-07-28 | 4fb7e0b | 16,408 B | A | view · diff |
| v1.1 | 2026-07-26 | b085e11 | 16,408 B | A | view · diff |
| git:20260611.1b8fae3 | 2026-06-11 | 1b8fae3 | 16,437 B | A | view · diff |
| v1.1 | 2026-06-07 | 758bad1 | 16,432 B | A | view |
Audit of the latest version
A 17 of 17 checks passed. Deterministic, no model, same answer every run.
- pass: Frontmatter block present
- pass: Frontmatter declares a name
- pass: Frontmatter declares a description
- pass: Size between 200 bytes and 200 KB (17354 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
GitHub
k-dense-ai/scientific-agent-skills · 42,925 stars · license MIT · pushed 2026-09-02 · branch main
API
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