egurapha

tuning_playbook

A playbook for systematically maximizing the performance of deep learning models.

taichi

Productive, portable, and performant GPU programming in Python.

vim-airline

lean & mean status/tabline for vim that's light as air

annoy

Approximate Nearest Neighbors in C++/Python optimized for memory usage and loading/saving to disk

deepmind-research

This repository contains implementations and illustrative code to accompany DeepMind publications

alphafold

Open source code for AlphaFold.

jedi-vim

Using the jedi autocompletion library for VIM.

evil

The extensible vi layer for Emacs.

pytorchviz

A small package to create visualizations of PyTorch execution graphs

ColabFold

Making Protein folding accessible to all!

DeepPurpose

A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

pytorch-lr-finder

A learning rate range test implementation in PyTorch

ncsn

Noise Conditional Score Networks (NeurIPS 2019, Oral)

surgeon-pytorch

A library to inspect and extract intermediate layers of PyTorch models.

torchani

Accurate Neural Network Potential on PyTorch

python-blosc

A Python wrapper for the extremely fast Blosc compression library

awesome-molecular-generation

Awesome papers related to generative molecular modeling and design.

pyTorchChamferDistance

Implementation of the Chamfer Distance as a module for pyTorch

rna-tools

🔧rna-tools: a toolbox to analyze sequences, structures and simulations of RNA (and more) used by RNA CASP, RNA PUZZLES, and me ;-) docs @ http://rna-tools.rtfd.io web @ http://rna-tools.online

deeprank

This repository has been integrated in https://github.com/DeepRank/deeprank2

bgflow

Boltzmann Generators and Normalizing Flows in PyTorch

arpeggio

Calculation of interatomic interactions in molecular structures

AdaptiveKDE

Python module for adaptive kernel density estimation

cubenet

3D Roto-translation equivariant convolutions

awkde

Adaptive Width KDE with Gaussian Kernels

Rosetta-DL

A bundle of deep-learning packages for biomolecular structure prediction and design contributed to the Rosetta Commons

annoy2

vim-color-scheme-screenshots

A collection of screenshots for vim color schemes

g2g_optimization

graph-to-graph translation using hierarchical graph structure with iterations

coordinates-compression

This repository contains the compression methods described in the paper "Towards an efficient compression of 3D coordinates of macromolecular structures".