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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9 of 5,923 resources
Directed message passing neural networks for property prediction of molecules and reactions with uncertainty and interpretation.
ChemML is a machine learning and informatics program suite for the analysis, mining, and modeling of chemical and materials data. (based on Tensorflow)
Deep learning library for Chemistry based on Tensorflow
OpenChem is a deep learning toolkit for Computational Chemistry with PyTorch backend.
DGL-LifeSci is a [DGL](https://www.dgl.ai/)-based package for various applications in life science with graph neural network.
A deep learning framework (based on Chainer) with applications in Biology and Chemistry.
Enables machine learning on three-dimensional molecular structure.
a robust molecular representation learning framework against distribution shifts.