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acme

A library of reinforcement learning components and agents

aitemplate

AITemplate is a Python framework which renders neural network into high performance CUDA/HIP C++ code. Specialized for FP16 TensorCore (NVIDIA GPU) and MatrixCore (AMD GPU) inference.

awesome-equivariant-network

Paper list for equivariant neural network

deepspeed

DeepSpeed is a deep learning optimization library that makes distributed training and inference easy, efficient, and effective.

e3nn

A modular framework for neural networks with Euclidean symmetry

egnn-pytorch

Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch

equifold

Official code repository for EquiFold

esm

Evolutionary Scale Modeling (esm): Pretrained language models for proteins

evotorch

EvoTorch is an advanced evolutionary computation library built directly on top of PyTorch, created at NNAISENSE.

foldingdiff

Diffusion models of protein structure; trigonometry and attention are all you need!

geometric-vector-perceptron

Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pytorch. Idea proposed and accepted at ICLR 2021

gnn_ppi

Codes and models for the paper "Learning Unknown from Correlations: Graph Neural Network for Inter-novel-protein Interaction Prediction".

gpu-puzzles

Solve puzzles. Learn CUDA.

graph_nets

Build Graph Nets in Tensorflow

gvp

Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure

gym

A toolkit for developing and comparing reinforcement learning algorithms.

hexo-theme-butterfly

🦋 A Hexo Theme: Butterfly

latexify_py

Generates LaTeX math description from Python functions.

magent2

An engine for high performance multi-agent environments with very large numbers of agents, along with a set of reference environments

masif

MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.

meltingpot

A suite of test scenarios for multi-agent reinforcement learning.

mujoco

Multi-Joint dynamics with Contact. A general purpose physics simulator.

neurips19-graph-protein-design

Generative Models for Graph-Based Protein Design

openfold

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

physical_concepts

progen

Official release of the ProGen models

protein-sequence-embedding-iclr2019

Source code for "Learning protein sequence embeddings using information from structure" - ICLR 2019

protein-structure-conversion

prottrans

ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit and hundreds of Google TPUs using Transformers Models.

sidechainnet

An all-atom protein structure dataset for machine learning.