Dataset and package for working with protein-protein interactions in 3D

Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies

Convenience Python APIs for antibody numbering using ANARCI

RoseTTAFold2 protein/nucleic acid complex prediction

A comprehensive library for computational molecular biology

Open source code for AlphaFold.

Normalizing flows in PyTorch. Current intended use is education not production.

Model interpretability and understanding for PyTorch

Tensors and Dynamic neural networks in Python with strong GPU acceleration

Training computational graph on top of structured data (string, graph, etc)

Text classification models. Used a submodule for other projects.

Descriptor computation(chemistry) and (optional) storage for machine learning

Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)

Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)

Template-free prediction of organic reaction outcomes

Chemical Property Prediction with Graph Convolutional Networks

Open Source Neural Machine Translation and (Large) Language Models in PyTorch

Facebook AI Research Sequence-to-Sequence Toolkit written in Python.

⏰ AI conference deadline countdowns

Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)