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torchdrug

Builds and troubleshoots TorchDrug 0.2.1 workflows for molecular graphs, property prediction, self-supervised pretraining, molecule generation, retrosynthesis, protein representation learning, and knowledge graph reasoning. Use when code imports torchdrug or needs its datasets, models, tasks, or Engine.

77

Quality

97%

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SKILL.md
Quality
Evals
Security

Quality

Content

92%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 strong, well-structured SKILL.md body: executable pinned commands, a complete canonical workflow, explicit validation checkpoints, and clean progressive disclosure to a complete, one-level-deep reference bundle. The only weakness is minor verbosity from repeating the version matrix already present in frontmatter and the boilerplate citation block.

DimensionReasoningScore

Conciseness

The body is dense with non-obvious, version-specific facts Claude would not know ("the wheel index above has no macOS ARM64 wheels", "fair-esm... imports as `esm`; the newer distribution named `esm` is a different SDK") and avoids explaining known concepts. Minor trimming is possible: the supported matrix repeats the frontmatter compatibility field, the "rechecked October 1, 2026" date is time-sensitive, and the citation block is boilerplate — efficient but not quite 'every token earns its place'.

4 / 5

Actionability

Copy-paste-ready pinned install commands with an exact `--find-links` wheel URL, a fully executable ClinTox → GIN → PropertyPrediction → Engine training script, concrete environment probe commands in the version guard, and specific troubleshooting steps (load checkpoint "model" state with `strict=False`). The common cases — install, train, evaluate, fix — are all covered with executable guidance.

5 / 5

Workflow Clarity

A clear sequence runs from the explicit version-guard checkpoint (inspect environment before generating code) through a numbered 4-step flow to a canonical worked example, with troubleshooting sections forming error-recovery feedback loops and rule 4 providing explicit validation ("verify source `sample id` sets agree across views and are disjoint between partitions") backed by an 8-rule checklist.

5 / 5

Progressive Disclosure

The body is a true overview: each workflow section ends with a well-signaled one-level-deep reference ("Read [molecular property prediction](references/molecular_property_prediction.md)"), and a reference index lists all 9 bundle files, all of which exist and contain no nested second-level references (only peer cross-links and external URLs). Content is appropriately split between quickstart material inline and details in references.

5 / 5

Total

19

/

20

Passed

Description

100%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 exemplary description: third-person voice, comprehensive and specific enumeration of the skill's workflow domains, and an explicit, natural 'Use when' trigger clause keyed to importing the library. No vagueness, fluff, or over-claims are present.

DimensionReasoningScore

Specificity

"Builds and troubleshoots TorchDrug 0.2.1 workflows for molecular graphs, property prediction, self-supervised pretraining, molecule generation, retrosynthesis, protein representation learning, and knowledge graph reasoning" names concrete actions and comprehensively covers the library's workflow domains, matching the top anchor's structure. It is not 4 because the coverage of what the skill handles is complete rather than having minor gaps.

5 / 5

Completeness

The first sentence explicitly answers "what" (builds and troubleshoots workflows across seven named domains) and the second explicitly answers "when" ("Use when code imports torchdrug or needs its datasets, models, tasks, or Engine"), matching the 5 anchor verbatim in form.

5 / 5

Trigger Term Quality

"Use when code imports torchdrug or needs its datasets, models, tasks, or Engine" is the exact natural trigger phrase, and the domain terms ("property prediction", "retrosynthesis", "molecule generation", "knowledge graph reasoning") are the phrases users of this library actually say. Coverage is comprehensive, including the import name alongside the domain vocabulary.

5 / 5

Distinctiveness Conflict Risk

The description names a specific niche library (TorchDrug 0.2.1) with a precise import-based trigger ("code imports torchdrug"), giving it a clear niche with minimal conflict risk against other skills.

5 / 5

Total

20

/

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.

Validation — 16 / 16 Passed

Validation for skill structure

No warnings or errors.

Repository

K-Dense-AI/scientific-agent-skills

Path

skills/torchdrug/SKILL.md

Reviewed

Table of Contents

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