How benb111/awesome-small-molecule-ml works
This repository is a curated resource list, not an executable machine-learning product. The principal workflow is for a reader to consult README.md and browse its research, data, software, and community-resource sections. The README documents these capabilities, but no source excerpts show runtime behavior or links between the listed resources; the graph therefore models only the documented catalog structure.
Main entry points: README.md Resource catalog
Components 16
Research papers
- Surveys and books
README.md - Molecular representation
README.md - Molecule generation
README.md - Hit finding
README.md - ADME and toxicity
README.md - Synthesis planning
README.md - DNA-encoded libraries
README.md - Visualization
README.md - MS/MS prediction
README.md
Tools and data
- Data sets
README.md - Frameworks and tools
README.md
Community resources
- Blogs
README.md - Twitter
README.md - Related lists
README.md
Other components
- Reader
- Resource catalog
README.md
Connections 15
- Reader → Resource catalog: consults
- Resource catalog → Surveys and books: lists
- Resource catalog → Molecular representation: lists
- Resource catalog → Molecule generation: lists
- Resource catalog → Hit finding: lists
- Resource catalog → ADME and toxicity: lists
- Resource catalog → Synthesis planning: lists
- Resource catalog → DNA-encoded libraries: lists
- Resource catalog → Visualization: lists
- Resource catalog → MS/MS prediction: lists
- Resource catalog → Data sets: lists
- Resource catalog → Frameworks and tools: lists
- Resource catalog → Blogs: lists
- Resource catalog → Twitter: lists
- Resource catalog → Related lists: lists