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3dunet

4d-chains

4D-CHAINS software for protein NMR assignment

5minfame

acnn

Code for the paper "Learning shape correspondence with anisotropic convolutional neural networks"

adaptivegraphconvolutionrecurrentnetwork

Adaptive Graph Convolutional Recurrent Network

ads1-slides

Slides for Algorithms for DNA Sequencing Coursera class

adversarial-robustness-toolbox

Python library for adversarial machine learning (evasion, extraction, poisoning, verification, certification) with attacks and defences for neural networks, logistic regression, decision trees, SVM, gradient boosted trees, Gaussian processes and more with multiple framework support

aescore

Learning Protein-Ligand Properties with Atomic Environment Vectors

af2complex

Predicting direct protein-protein interactions with AlphaFold deep learning neural network models.

aleph_star

Reinforcement learning with A* and a deep heuristic

aligner

Package for aligning cryosections into a 3D volume

allegro

Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials

alpha-zero-general

A clean implementation based on AlphaZero for any game in any framework + tutorial + Othello/Gobang/TicTacToe/Connect4 and more

alphafold

Open source code for AlphaFold.

alphafold2

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

alphazero_gomoku

An implementation of the AlphaZero algorithm for Gomoku (also called Gobang or Five in a Row)

alphazerosimple

The absolute most basic example of AlphaZero and Monte Carlo Tree Search I could come up with

amazon-sagemaker-examples

Example 📓 Jupyter notebooks that demonstrate how to build, train, and deploy machine learning models using 🧠 Amazon SageMaker.

amfe

Nonlinear Finite Element Code for structural applications with simplicity in mind.

aperol

Automatic Proposal of Equivariant Models

arnoldimethod.jl

Implicitly Restarted Arnoldi Method, natively in Julia

arpack.jl

Julia Wrappers for the arpack-ng Fortran library

ase-atomic-simulation-environment

Atomic Simulation Environment - unofficial mirror from https://gitlab.com/ase/ase

assembly-mmcif-examples

Repository for sample biological assemblies in mmCIF form

assemblymartinimembrane

automated setup of martini membranes using the self assembly method

astropy

Repository for the Astropy core package

atom3d

ATOM3D: tasks on molecules in three dimensions

autodocktools_py3

Python3 translation of AutoDockTools

autoray

Write numeric code that automatically works with any numpy-ish libraries.

awesome-diffusion-model-in-rl

A curated list of Diffusion Model in RL resources (continually updated)