PyTorch-native graph neural networks for molecules and proteins. Use when building custom GNN architectures for drug discovery, protein modeling, or knowledge graph reasoning. Best for custom model development, protein property prediction, retrosynthesis. For pre-trained models and diverse featurizers use deepchem; for benchmark datasets use pytdc.
90
71%
Does it follow best practices?
Impact
94%
1.18xAverage score across 9 eval scenarios
Advisory
Suggest reviewing before use
Optimize this skill with Tessl
npx tessl skill review --optimize ./scientific-skills/torchdrug/SKILL.mdQuality
Discovery
100%Based on the skill's description, can an agent find and select it at the right time? Clear, specific descriptions lead to better discovery.
This is an excellent skill description that clearly defines its niche (PyTorch-native GNNs for molecular and protein tasks), provides explicit trigger guidance with natural domain terms, and proactively distinguishes itself from related skills (deepchem, pytdc). The description is concise yet comprehensive, covering what the skill does, when to use it, and when to prefer alternatives.
| Dimension | Reasoning | Score |
|---|---|---|
Specificity | Lists multiple specific concrete actions and domains: 'custom GNN architectures', 'drug discovery', 'protein modeling', 'knowledge graph reasoning', 'protein property prediction', 'retrosynthesis', and 'custom model development'. | 3 / 3 |
Completeness | Clearly answers both 'what' (PyTorch-native GNNs for molecules and proteins, custom model development, protein property prediction, retrosynthesis) and 'when' ('Use when building custom GNN architectures for drug discovery, protein modeling, or knowledge graph reasoning'). Also includes explicit differentiation guidance for when NOT to use it. | 3 / 3 |
Trigger Term Quality | Includes strong natural keywords users would say: 'graph neural networks', 'GNN', 'molecules', 'proteins', 'drug discovery', 'protein modeling', 'knowledge graph reasoning', 'retrosynthesis', 'PyTorch'. These are terms domain practitioners naturally use. | 3 / 3 |
Distinctiveness Conflict Risk | Highly distinctive with clear niche (PyTorch-native GNNs) and explicitly differentiates from related skills (deepchem for pre-trained models, pytdc for benchmark datasets), which greatly reduces conflict risk. | 3 / 3 |
Total | 12 / 12 Passed |
Implementation
42%Reviews the quality of instructions and guidance provided to agents. Good implementation is clear, handles edge cases, and produces reliable results.
The skill has excellent progressive disclosure and navigation structure, pointing clearly to reference files for detailed content. However, it is significantly over-verbose, repeating navigation information multiple times and including sections that explain concepts Claude already knows. The workflows lack executable code and validation checkpoints, reducing their actionability for complex multi-step processes.
Suggestions
Cut the 'When to Use This Skill' section entirely or reduce to 2-3 bullet points — Claude can infer appropriate use from the content itself.
Remove the duplicate navigation in 'Common Workflows' Navigation lines, 'Quick Reference Cheat Sheet', and 'Summary' — keep only one navigation section (the cheat sheet is the best candidate).
Add executable code to at least the most common workflows (e.g., Workflow 1: Molecular Property Prediction) instead of abstract step descriptions.
Add explicit validation checkpoints to workflows, especially retrosynthesis and generation (e.g., 'Validate generated SMILES with RDKit before proceeding').
| Dimension | Reasoning | Score |
|---|---|---|
Conciseness | Extremely verbose with extensive repetition. The 'When to Use This Skill' section explains things Claude already knows, the 'Core Capabilities' section duplicates information from the workflows, and the 'Quick Reference Cheat Sheet' repeats navigation already provided in each capability section. The 'Common Workflows' section restates steps that are largely obvious given the code examples. Much of this could be cut by 60%+ without losing actionable information. | 1 / 3 |
Actionability | The Quick Example and Integration Patterns sections provide executable code, but the five Common Workflows are described as abstract step lists without executable code. The workflows say things like 'Train center identification model (RGCN)' without showing how. The Quick Example is also missing an `import torch` statement, making it not fully copy-paste ready. | 2 / 3 |
Workflow Clarity | Workflows are listed as numbered steps but lack validation checkpoints and error recovery loops. For tasks like retrosynthesis planning and molecular generation (which involve multi-step, potentially error-prone processes), there are no explicit validation steps within the workflow sequences. The troubleshooting section partially compensates but is disconnected from the workflows themselves. | 2 / 3 |
Progressive Disclosure | The skill excels at progressive disclosure with a clear overview structure pointing to well-organized reference files one level deep. Each capability section has a concise summary followed by explicit 'Reference: See references/X.md for:' pointers with bullet points describing what each file contains. The Quick Reference Cheat Sheet provides excellent navigation. | 3 / 3 |
Total | 8 / 12 Passed |
Validation
90%Checks the skill against the spec for correct structure and formatting. All validation checks must pass before discovery and implementation can be scored.
Validation — 10 / 11 Passed
Validation for skill structure
| Criteria | Description | Result |
|---|---|---|
metadata_version | 'metadata.version' is missing | Warning |
Total | 10 / 11 Passed | |
25e1c0f
Table of Contents
If you maintain this skill, you can claim it as your own. Once claimed, you can manage eval scenarios, bundle related skills, attach documentation or rules, and ensure cross-agent compatibility.