ufimtsev

ProteinFlow

Versatile computational pipeline for processing protein structure data for deep learning applications.

masif_seed

Masif seed paper repository

openfold

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

alphafold

Open source code for AlphaFold.

RoseTTAFold

This package contains deep learning models and related scripts for RoseTTAFold

equivariant-MLP

A library for programmatically generating equivariant layers through constraint solving

alphafold2

To eventually become an unofficial Pytorch implementation / replication of Alphafold2, as details of the architecture get released

SE3-Transformers

Implementation of 3D Rotation / Translation Equivariant Attention Networks, in Pytorch

lie-transformer-pytorch

Implementation of Lie Transformer, Equivariant Self-Attention, in Pytorch

physarum

Physarum polycephalum slime mold simulation

horovod

Distributed training framework for TensorFlow, Keras, PyTorch, and Apache MXNet.

LieConv

PRML

PRML algorithms implemented in Python

fastbook

The fastai book, published as Jupyter Notebooks

fenchel-young-losses

Probabilistic classification in PyTorch/TensorFlow/scikit-learn with Fenchel-Young losses

transformer-tensorflow

Implementation of Transformer Model in Tensorflow

unified-gan-tensorflow

A Tensorflow implementation of GAN, WGAN and WGAN with gradient penalty.

proteinnet

Standardized data set for machine learning of protein structure

rgn

Recurrent Geometric Networks for end-to-end differentiable learning of protein structure

pnerf

getcontacts

Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation

nuklear

A single-header ANSI C gui library

trove

Full-speed Array of Structures access