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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5 of 6,573 resources
Provides functionality for producing geometric representations of protein and RNA structures, and biological interaction networks.
Neural Network Force Field based on PyTorch.
Automate downloading and querying the latest (or a given) version of ChEMBL.
Therapeutics Data Commons: 66 AI-ready datasets across 22 drug discovery tasks with 29 leaderboards, covering target identification, molecular generation, ADMET prediction, and clinical trial outcomes (Harvard MIMS, NeurIPS 2021/2024)
A python package for optimizing chemical reactions using machine learning (contains 10 algorithms + several benchmarks).