Best Open Source drug discovery Libraries

A curated list of the most popular GitHub repositories tagged with drug discovery. Select any project to visualize its architecture and dive into the codebase using RepoMind's AI engine.

#1NVIDIA/DeepLearningExamples

State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible accuracy and performance on enterprise-grade infrastructure.

14,732Jupyter Notebook

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#2K-Dense-AI/claude-scientific-skills

A set of ready to use scientific skills for Claude

9,023Python

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#3deepchem/deepchem

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

6,550Python

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