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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13 of 6,569 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
Library for fast calculations of **mo**lecula**r** **fe**at**u**re**s** from 3D structures for machine learning with a focus on steric descriptors.
Ensemble of automated machine learning protocols that can be run sequentially through a single command line. The program works for regression and classification problems.
ChemML is a machine learning and informatics program suite for the analysis, mining, and modeling of chemical and materials data. (based on Tensorflow)
Self-Referencing Embedded Strings (SELFIES): A 100% robust molecular string representation.
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.
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.