├── .gitignore ├── AI4Science101_template.zip ├── Makefile ├── README.md ├── make.bat ├── requirements.txt └── source ├── chapters ├── AI_for_scientific_discovery │ ├── index.rst │ ├── manifesto.md │ ├── mind_steps.md │ ├── opportunities.md │ ├── real_world_challenge.md │ ├── references.md │ ├── roadmap.md │ ├── success_of_AI.md │ └── why_different.md ├── announcement │ └── announcement.md ├── knowledge_base │ ├── biology.md │ ├── chemistry.md │ ├── index.rst │ ├── pharmacy.md │ ├── physics.md │ └── references.md ├── molecular_dynamics │ ├── AI_in_MD.md │ ├── MD_definition.md │ ├── advanced_example.md │ ├── enhanced_sampling.md │ ├── index.rst │ ├── preperation.md │ ├── references.md │ └── simple_example.md └── scientific_discovery_in_the_era_of_AI │ ├── AI_bring.md │ ├── AI_roadmap.md │ ├── artificial_intelligence.md │ ├── how_ai_work.md │ ├── index.rst │ ├── manifesto.md │ ├── mindsets_for_AI.md │ ├── news_AI.md │ └── references.md ├── conf.py └── index.rst /.gitignore: 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