Find open-source science resources

A directory of tools, AI models, datasets, and research resources for biotech, bioinformatics, and other scientific fields. Aggregated from curated GitHub awesome-lists, HuggingFace, bio.tools, Bioconductor, and more.

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AI for chemical reaction prediction and synthesis planning

Stale4244 years ago
Python
NOASSERTION

AstraZeneca's industrial-grade retrosynthetic planning tool using MCTS to recursively decompose molecules into purchasable precursors, with multi-step route scoring and support for custom one-step models (v4.0, 2024)

Generative AI system for antibiotic discovery that searches billions of synthesizable molecules by combining molecular building blocks through real chemical reactions, experimentally validating novel compounds active against drug-resistant bacteria