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molfeat

Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML.

60

Quality

70%

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SecuritybySnyk

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tessl review fix ./skills/molfeat/SKILL.md
SKILL.md
Quality
Evals
Security

Quality

Content

65%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.

The body is well-structured with strong progressive disclosure and largely executable examples, but it is somewhat verbose and its batch operations lack explicit validation/feedback checkpoints. Tightening repeated content and adding verification steps would lift the weakest dimensions.

Suggestions

Add explicit validation checkpoints to the chunked/batch featurization workflow (e.g. verify shape, check for None rows, retry failed molecules).

Trim redundancy: remove the version-note repetition in Overview and consolidate the 'Resources' section so reference descriptions appear once.

Replace placeholders like smiles_list with self-contained snippets (e.g. load from a file or a concrete list) so every example is runnable as written.

DimensionReasoningScore

Conciseness

Mostly efficient with concrete code, but the Overview duplicates version notes already in frontmatter, the 'When to Use' list has redundant bullets, and the 'Resources' section re-describes references already covered inline.

3 / 5

Actionability

Provides copy-paste-ready code for calculators, transformers, pretrained models, chunking, and caching plus concrete install commands and a reference table; minor gaps remain where examples use placeholders like smiles_list.

4 / 5

Workflow Clarity

A clear Quick Start and featurizer-choice pointer exist, but batch/chunked featurization lacks explicit validation checkpoints, and the rubric caps batch operations without feedback loops at 3.

3 / 5

Progressive Disclosure

Clear overview with well-signaled, one-level-deep references to real files (choosing_a_featurizer.md, available_featurizers.md, examples.md, api_reference.md), each with 'When to load' guidance and content appropriately split.

5 / 5

Total

15

/

20

Passed

Description

75%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 strong, specific description with concrete capabilities and clear niche distinctiveness, but it lacks an explicit 'Use when...' trigger clause so completeness is capped. Trigger term coverage is good though not fully comprehensive.

Suggestions

Add an explicit trigger clause, e.g. 'Use when building QSAR/QSPR models, virtual screening, or converting SMILES to ML features.'

Broaden trigger terms with common synonyms users say (e.g. 'molecular fingerprints', 'chemical descriptors', 'drug discovery', '.smi/.sdf files').

Lead with the core action verb to match the 'what' more directly, e.g. 'Convert molecules (SMILES) into ML feature vectors using 100+ featurizers...'

DimensionReasoningScore

Specificity

Names the domain ('Molecular featurization for ML') and lists multiple concrete featurizer types (ECFP, MACCS, descriptors, pretrained ChemBERTa, SMILES conversion), giving comprehensive coverage.

5 / 5

Completeness

The 'what' is clear and concrete, but the 'when' is only weakly implied by 'for QSAR and molecular ML' with no explicit 'Use when...' trigger clause, which caps completeness at 3.

3 / 5

Trigger Term Quality

Includes natural terms users would say (QSAR, molecular ML, SMILES, featurizers, ChemBERTa) with good coverage, but a few common variations are missing.

4 / 5

Distinctiveness Conflict Risk

Clear cheminformatics niche with distinct triggers (SMILES, QSAR, ECFP, MACCS) and minimal overlap risk with other skills.

5 / 5

Total

17

/

20

Passed

Validation

100%

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

Validation16 / 16 Passed

Validation for skill structure

No warnings or errors.

Repository
K-Dense-AI/scientific-agent-skills
Reviewed

Table of Contents

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