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esmfold2

Biohub ESMFold2 / ESMFold2-Fast all-atom co-folding (Candido et al. 2026, github.com/Biohub/esm). Single-sequence and MSA modes; protein, DNA, RNA, ligand (CCD/SMILES), modified residues. FoldBench Ab-Ag 50-55%, PPI 70-77% DockQ-pass. Also covers the ESMC-{300M,600M,6B} protein language models from the same release: masked-LM logits, hidden states, mutation scoring, contact prediction, and the SAE interpretability head. MIT-licensed weights on HuggingFace org `biohub`. Use this skill when: (1) Predicting complex structures with single-sequence input, (2) Validating designed binders with ESMFold2-Fast, (3) Running ESMFold2 with MSA input, (4) Getting ESMC embeddings or per-residue mutation scores, (5) Choosing kernel backend and sampling-step settings for paper-faithful throughput.

71

Quality

89%

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SecuritybySnyk

Low

Low-risk findings worth noting

SKILL.md
Quality
Evals
Security

Quality

Content

86%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.

A high-quality reference body: fully executable pinned instructions, exceptional gotcha coverage with concrete recovery paths, and clean progressive disclosure into two real reference files. The residual issues are minor — redundant restatement of paper hyperparameters across three places and the absence of an explicit post-install/output validation checkpoint.

Suggestions

State the paper-faithful fold hyperparameters once (in the paper-matched configuration table) and trim their repetition from the fold() code comments and the 'Paper-faithful FoldBench settings' paragraph.

Add a one-line post-install validation step (e.g., a minimal `from esm.models.esmfold2 import ESMFold2InputBuilder` import check) before the usage section, since the pinned multi-source install is the most failure-prone stage.

Add a brief output-validation note after the ranking example (e.g., what ipTM/pLDDT threshold indicates a trustworthy prediction) to close the workflow's feedback loop.

DimensionReasoningScore

Conciseness

The body is dense with zero concept-explanation padding — every section is a pinned fact, gotcha, or executable snippet, and it assumes Claude's competence throughout. It stops short of the score-5 'every token earns its place' anchor because the fold hyperparameters (10 loops, 68 steps, 5 samples) are stated three times: in the fold() code comments, again in the 'Paper-faithful FoldBench settings' paragraph, and a third time in the paper-matched configuration table.

4 / 5

Actionability

Fully executable throughout: a copy-paste install with exact version pins and commit hashes, a complete fold() example from imports to mmCIF export, a working safe-SVD monkeypatch, and a runnable MSA input example. Specific examples cover the common cases (complex, monomer, MSA, variants), matching the score-5 anchor exactly.

5 / 5

Workflow Clarity

The install → load → set_kernel_backend → fold → rank-by-ipTM sequence is clear, and error-recovery loops are unusually thorough (L>1400 illegal-memory-access fallback, the SVD-poison monkeypatch, a3m null-byte cleaning, backend selection rules). It sits at score 4 rather than 5 only because there is no explicit validation checkpoint for the core flow — e.g., a quick import sanity check after the fragile pinned install, or a quality gate on the ranked prediction before writing it out.

4 / 5

Progressive Disclosure

The body is a well-sectioned overview with clearly signaled, one-level-deep references — 'gradient-guided design — see references/design-hook.md' and 'Full API, mutation scoring, SAE features, contact prediction: see references/esmc.md' — and both files exist in the bundle. The two deep-dive topics (design hook, ESMC API) are appropriately split out while day-to-day content stays inline, matching the score-5 anchor.

5 / 5

Total

18

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20

Passed

Description

92%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.

An excellent description: specific, comprehensive, third-person, with an explicit five-item 'Use this skill when' trigger list. The only meaningful gap is a handful of natural synonyms and file extensions (.a3m, .cif) that a user might mention when invoking it.

DimensionReasoningScore

Specificity

The description enumerates concrete capabilities: 'all-atom co-folding', 'Single-sequence and MSA modes; protein, DNA, RNA, ligand (CCD/SMILES), modified residues', and for ESMC 'masked-LM logits, hidden states, mutation scoring, contact prediction, and the SAE interpretability head'. This matches the anchor for multiple specific concrete actions with comprehensive coverage; it goes beyond the score-4 anchor's 'minor gaps in coverage'.

5 / 5

Completeness

It explicitly answers both questions: the 'what' is a detailed multi-clause capability list, and the 'when' is an explicit 'Use this skill when: (1)...(5)' enumeration with concrete trigger scenarios. This is a direct match to the score-5 anchor; score 4 would require the 'when' to be less explicit than it is.

5 / 5

Trigger Term Quality

Natural trigger phrases are present ('Predicting complex structures', 'Validating designed binders', 'Running ESMFold2 with MSA input', 'Getting ESMC embeddings or per-residue mutation scores'), giving good keyword coverage. It falls short of the score-5 anchor because common variations users would say — plain 'protein folding' / 'structure prediction' phrasing and file extensions like .a3m, .cif, or .pdb — are absent.

4 / 5

Distinctiveness Conflict Risk

The niche is unambiguous — named models (ESMFold2/ESMFold2-Fast/ESMC sizes), the paper citation, github.com/Biohub/esm, and the HF org 'biohub' — so it would not plausibly trigger for a different skill. It matches the clear-niche anchor with minimal conflict risk.

5 / 5

Total

19

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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
aipoch/open-science
Reviewed

Table of Contents

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