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 7,078 resources
ChemML is a machine learning and informatics program suite for the analysis, mining, and modeling of chemical and materials data. (based on Tensorflow)
Directed message passing neural networks for property prediction of molecules and reactions with uncertainty and interpretation.
Deep learning library for Chemistry 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,