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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7 of 5,923 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)
Library with several compositional and structural material descriptors, along with a few pre-trained neural network models of material properties.
A Deep Learning Library for Compound and Protein Modeling DTI, Drug Property, PPI, DDI, Protein Function Prediction.
Psi4-based reference implementations and Jupyter notebook-based tutorials for foundational quantum chemistry methods.
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals.