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proteinmpnn

Inverse-fold a protein backbone (PDB structure) into amino-acid sequence with ProteinMPNN (Dauparas et al. 2022, github.com/dauparas/ProteinMPNN). Reach for this skill to run sequence design on RFdiffusion backbones, to redesign one chain of a PDB while holding interface residues fixed, or to generate a temperature-swept set of sequences for downstream folding.

Quality

91%

Does it follow best practices?

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SecuritybySnyk

Low

Low-risk findings worth noting

SKILL.md
Quality
Evals
Security

Quality

Content

93%Weight 40%Scale 1-5

Reviews the quality of instructions and guidance provided to agents. Good implementation is clear, handles edge cases, and produces reliable results.

An exemplary single-file skill: a fully executable quick-start, dense coverage of the flag quirks and silent failure modes that actually trip practitioners, and clean sectioned structure with no filler. The only gap is the absence of explicit validation checkpoints after the run (e.g. verifying fixed positions held or screening on score/seq_recovery before downstream folding).

Suggestions

Add a one-line post-run validation step after the output section, e.g. confirm fixed residues are unchanged in the .fa records and sanity-check seq_recovery before dispatching downstream folding jobs.

In the fixed-positions section, give the one-line invocation of helper_scripts/make_fixed_positions_dict.py so the 'worth the extra call' advice is directly executable.

DimensionReasoningScore

Conciseness

Every section carries non-obvious operational knowledge: flag parsing quirks ('--sampling_temp is parsed as a space-separated string... commas never split'), the silent fixed-positions failure mode, checkpoint selection by training noise, and a compact error table. Nothing explains what proteins or inverse folding are; no padding anywhere.

5 / 5

Actionability

The run block is copy-paste executable end to end (pip install, shallow clone, full command with flags), output location and header fields are spelled out ('out/seqs/<pdb_stem>.fa', 'score=', 'global_score=', 'seq_recovery='), and the error table prescribes exact diagnostic commands like "grep '^ATOM' file.pdb \| cut -c22 \| sort -u".

5 / 5

Workflow Clarity

The sequence (install → clone → run → read outputs → fold downstream) is clear, and the 'Errors worth recognizing' table gives recovery guidance for the main failure modes. It stops short of explicit validation checkpoints — e.g. there is no proactive step to confirm fixed positions were actually held or to sanity-check seq_recovery before spending compute on folding — matching 'most checkpoints present; minor validation gaps'.

4 / 5

Progressive Disclosure

This is a self-contained single-file skill (no references/, scripts/, or assets/ bundle exists) of ~70 lines, and all content — one run command, two flag gotchas, a checkpoint table, an error table — is appropriately inline rather than split out. Sections are well-headed and navigable, satisfying the simple-skill exception for a skill with no need for external references.

5 / 5

Total

19

/

20

Passed

Description

88%Weight 40%Scale 1-5

Based on the skill's description, can an agent find and select it at the right time? Clear, specific descriptions lead to better discovery.

A tight, third-person description that pairs a concrete 'what' with an explicit 'Reach for this skill when...' clause covering three distinct trigger scenarios. Only small gaps: a few natural synonyms are absent and it does not steer ligand/soluble cases to sibling skills.

DimensionReasoningScore

Specificity

Lists multiple concrete actions — 'Inverse-fold a protein backbone (PDB structure) into amino-acid sequence', 'run sequence design on RFdiffusion backbones', 'redesign one chain of a PDB while holding interface residues fixed', 'generate a temperature-swept set of sequences' — with comprehensive coverage of the tool's use cases. All are specific, executable capabilities rather than generic claims.

5 / 5

Completeness

Explicitly answers both: what — inverse-folding a backbone into an amino-acid sequence with ProteinMPNN — and when — 'Reach for this skill to run sequence design on RFdiffusion backbones, to redesign one chain of a PDB... or to generate a temperature-swept set of sequences'. Concrete trigger phrases are attached to each use case.

5 / 5

Trigger Term Quality

Strong natural phrasing users would say: 'sequence design', 'redesign one chain of a PDB', 'RFdiffusion backbones', 'temperature-swept', 'downstream folding', plus the tool name and citation. A few common synonyms are missing (e.g. 'protein design', 'inverse folding' unhyphenated, 'fixed residues'), keeping it just below the comprehensive anchor.

4 / 5

Distinctiveness Conflict Risk

A clear niche (protein-only inverse folding with named triggers like RFdiffusion backbones and interface-residue fixing) with minimal conflict risk. Minor overlap with closely related skills (ligandmpnn for ligand interfaces, solublempnn) that the description does not explicitly disambiguate, which matches the 'mostly distinct; minor overlap risk' anchor.

4 / 5

Total

18

/

20

Passed

Validation

81%

Checks the skill against the spec for correct structure and formatting. All validation checks must pass before discovery and implementation can be scored.

Validation — 13 / 16 Passed

Validation for skill structure

CriteriaDescriptionResult

metadata_version

'metadata.version' is missing

Warning

metadata_field

'metadata' should map string keys to string values

Warning

frontmatter_unknown_keys

Unknown frontmatter key(s) found; consider removing or moving to metadata

Warning

Total

13

/

16

Passed

Repository

UnicomAI/wanwu

Path

configs/microservice/bff-service/configs/agent-skills/claude-science/proteinmpnn/SKILL.md

Reviewed

Table of Contents

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