chainer-chemistry

A deep learning framework (based on Chainer) with applications in Biology and Chemistry.

Cross-platform library for differentiable programming of quantum computers with automatic differentiation, enabling hybrid quantum-classical machine learning for quantum chemistry, quantum physics, and NISQ algorithm research (Xanadu, 3k+ stars)

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)

Deep learning library for Chemistry based on Tensorflow

OpenChem is a deep learning toolkit for Computational Chemistry with PyTorch backend.

A toolbox for machine learning in seismology, providing unified interfaces for deep learning seismic phase picking, earthquake detection, and waveform analysis across multiple benchmark datasets and pretrained models (397+ stars, actively maintained)