Deep chemistry skill. Graph neural networks for molecular property prediction, molecular generation with VAE/GAN, reaction prediction, and retrosynthesis planning. Use when working with graph neural networks for molecular property prediction, molecular generation with vae/gan, reaction prediction.
Deep chemistry skill. Graph neural networks for molecular property prediction, molecular generation with VAE/GAN, reaction prediction, and retrosynthesis planning.
logs/process-log.jsonl.report.md: concise method, results, interpretation, and file inventory in the user's language.results/: structured outputs, metrics, model artifacts, or extracted findings.figures/: English-only charts, diagrams, or panels when visual output is needed.data/: processed or derived datasets when transformation occurs.External tools available via ToolUniverse MCP server. Falls back to Python
requests+ public REST APIs when MCP is unavailable.
| Source | Tool | Description |
|---|---|---|
| PubChem | PubChem_search_compound | PubChem API |
| PubChem | PubChem_get_compound | PubChem API |
report.md and logs/process-log.jsonl reference the generated artifacts.If any gate fails: identify the specific failing check, fix the issue, and re-validate before proceeding.
logs/process-log.jsonl is updated with execution trace