chemistry

4 projects share this GitHub topic

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🧬 Members

Message Passing Neural Networks for Molecule Property Prediction

awesome-python-chemistry

A curated list of Python packages related to chemistry

AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and…

Molecode presents molecules as code and enables LLMs to operate and reason on chemistry directly.

★ 305 · GitHub ↗

🔗 Related families

drug-discovery 12 molecular-dynamics 4 drug-design 7 ml 50 transfer-learning 5 ai-for-science 9 coding-agent 108 language-model 114

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