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 6,573 resources
Directed message passing neural networks for property prediction of molecules and reactions with uncertainty and interpretation.
Deep learning library for Chemistry based on Tensorflow
ChemML is a machine learning and informatics program suite for the analysis, mining, and modeling of chemical and materials data. (based on Tensorflow)
A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models in R.
A python package for optimizing chemical reactions using machine learning (contains 10 algorithms + several benchmarks).
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 Library for Deep Learning in Biology and Chemistry.
Molecular property prediction with unified API for diverse models and respresentations,