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pytdc

Therapeutics Data Commons. AI-ready drug discovery datasets (ADME, toxicity, DTI), benchmarks, scaffold splits, molecular oracles, for therapeutic ML and pharmacological prediction.

58

Quality

73%

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tessl review fix ./backend/cli/skills/chemistry/pytdc/SKILL.md
SKILL.md
Quality
Evals
Security

Quality

Content

67%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 well-structured, highly actionable skill body with real, one-level-deep bundle references and executable examples covering all major TDC task families. The main weaknesses are catalog content inlined in SKILL.md that duplicates references/datasets.md, and a few explanations of domain concepts Claude already knows.

Suggestions

Replace the inline dataset listings (ADME/Tox/DTI/DDI dataset tables and pair counts) with one representative example plus a pointer to references/datasets.md, cutting significant duplicate tokens.

Trim explanations of known concepts — e.g., the ADME acronym expansion and the 'Single-instance prediction involves forecasting...' definitional sentences.

Add a small validation checkpoint to the workflows (e.g., print split DataFrame shapes or assert 5 seeds collected before group.evaluate) to close the feedback loop in the benchmark protocol.

DimensionReasoningScore

Conciseness

The body is mostly efficient with executable snippets throughout, but includes unnecessary material: inline dataset catalogs ('BindingDB_Kd ... 52,284 pairs', '191,808 DDI pairs with 1,706 drugs') that duplicate references/datasets.md, and explanations of concepts Claude already knows ('ADME (Absorption, Distribution, Metabolism, Excretion)', 'Single-instance prediction involves forecasting properties of individual biomedical entities'). Not a 2: the padding is localized and most sections stay concrete.

3 / 5

Actionability

Nearly all guidance is executable copy-paste code — imports, dataset loading, get_split with methods/seeds/fracs, Evaluator usage, benchmark group loop. Minor gaps keep it from 5: the Quick Start uses placeholder syntax ('from tdc.<problem> import <Task>'), and the benchmark snippet contains the unimplemented 'model.predict(benchmark['test'])' line.

4 / 5

Workflow Clarity

Three named workflows with a clear load → split → train → evaluate sequence, each backed by a real bundled script, and the benchmark workflow specifies the required 5-seed protocol explicitly. Not a 5: no explicit validation checkpoints or error-recovery loops (e.g., verifying split shapes or evaluator inputs) are shown, though these are read-only data operations where the cap for destructive/batch validation does not apply.

4 / 5

Progressive Disclosure

References are one level deep, clearly signaled ('See references/oracles.md', 'For comprehensive utilities documentation, see references/utilities.md'), all referenced files exist and are substantive, and a Resources section enumerates the bundle. Not a 5: a substantial dataset catalog is inlined in the body despite references/datasets.md already covering it, which is content that belongs in the separate file.

4 / 5

Total

15

/

20

Passed

Description

70%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 specific, distinctive description with strong domain keywords and concrete capabilities, weakened only by the absence of an explicit 'when to use' trigger clause and by noun-phrase rather than action-verb construction. Adding a 'Use when...' sentence would lift it to the top tier.

Suggestions

Append an explicit trigger clause, e.g.: 'Use when the user needs drug discovery datasets (ADME, toxicity, DTI), benchmark ML models on pharmaceutical tasks, or run scaffold/cold splits and molecular oracles.'

Convert some noun phrases into third-person action verbs (e.g., 'Loads ADME/toxicity/DTI datasets, runs scaffold splits, evaluates models with standard metrics') so capabilities read as actions.

Add a few natural synonyms users might say — 'drug-target interaction', 'molecule generation', 'benchmarking' — to widen trigger coverage.

DimensionReasoningScore

Specificity

Quotes concrete capabilities — 'AI-ready drug discovery datasets (ADME, toxicity, DTI), benchmarks, scaffold splits, molecular oracles' — naming several specific features with only minor coverage gaps. Not a 5: capabilities are listed as noun phrases rather than concrete actions (no verbs like 'load', 'evaluate', 'split'), and evaluation utilities/data processing are absent.

4 / 5

Completeness

The 'what' is clear (datasets, benchmarks, splits, oracles), but there is no 'Use when...' clause or equivalent explicit trigger guidance — only the weakly implied 'for therapeutic ML and pharmacological prediction'. Per the rubric guideline, a missing explicit 'when' caps completeness at 3; it is not a 2 because the 'what' is concrete and multi-part.

3 / 5

Trigger Term Quality

Good natural keyword coverage: 'drug discovery', 'ADME', 'toxicity', 'DTI', 'benchmarks', 'scaffold splits', 'molecular oracles', 'therapeutic ML', 'pharmacological prediction' — terms a user working in this domain would naturally say. Not a 5: a few natural variations are missing (e.g., 'drug-target interaction' spelled out, 'molecule generation', 'drug repurposing'), and 'DTI' is jargon-adjacent for less specialized users.

4 / 5

Distinctiveness Conflict Risk

Clear niche — the Therapeutics Data Commons platform with domain-specific triggers (ADME, DTI, scaffold splits, oracles) that no general chemistry or ML skill would claim. Minimal conflict risk with other skills.

5 / 5

Total

16

/

20

Passed

Validation

87%

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

Validation — 14 / 16 Passed

Validation for skill structure

CriteriaDescriptionResult

metadata_version

'metadata.version' is missing

Warning

frontmatter_unknown_keys

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

Warning

Total

14

/

16

Passed

Repository

synthetic-sciences/openscience

Path

backend/cli/skills/chemistry/pytdc/SKILL.md

Reviewed

Table of Contents

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