drug-discovery

6 projects share this GitHub topic

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🧬 Members

DeepLearningExamples

State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible…

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

Message Passing Neural Networks for Molecule Property Prediction

A powerful and flexible machine learning platform for drug discovery

Deep Reinforcement Learning for de-novo Drug Design

🦀 Agentic RAG for drug intelligence · 57 skills · 15 task categories · DTI · ADR · DDI · PGx ·…

🔗 Related families

forecasting 12 biology 5 graph-neural-networks 20 deeplearning 38 knowledge-graph 25 multi-agent 25

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