doi2bib2

egnn-pytorch

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

equiformer-pytorch

Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding

esm

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

esmfold-docker-image

Create a docker image for running ESMFold, solved conflicts between ESMFold and OpenFold dependencies

findpdbabs

Code to identify PDB files of antibodies using forward and reverse BLAST searches

gae

Implementation of Graph Auto-Encoders in TensorFlow

gdc

Bayesian Graph Neural Networks with Adaptive Connection Sampling - Pytorch

genetic_variants

geoppi

github

:octocat: Git and GitHub integration for Atom

grand

A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.

graph-posterior-network

Graph Posterior Network: Bayesian Predictive Uncertainty for Node Classification (NeurIPS 2021)

graph-transformer-pytorch

Implementation of Graph Transformer in Pytorch, for potential use in replicating Alphafold2

graphcl

[NeurIPS 2020] "Graph Contrastive Learning with Augmentations" by Yuning You, Tianlong Chen, Yongduo Sui, Ting Chen, Zhangyang Wang, Yang Shen

graphein

Protein Graph Library

han

Heterogeneous Graph Neural Network

homebrew-core

🍻 Default formulae for the missing package manager for macOS

hydra

Hydra is a framework for elegantly configuring complex applications

igfold

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

iglm

Generative Language Modeling for Antibody Design

intpred

kbd

Styles for <kbd> tags.

lbthw

Learn Bash Scripting The Hard Way

learn-c-the-hard-way-lectures

All of the code from Learn C The Hard Way, each project, plus the presentation slides used in the videos.

lightning-geometric

Integrate pytorch

litemol

A library/plugin for handling 3D structural molecular data (not only) in the browser.

manim

Animation engine for explanatory math videos

mapjs

JavaScript Mind Map visualisation and management

markdown-preview

📝 Markdown preview in Atom