Concise and beautiful algorithms written in Julia

Protein Graph Library

ANI-1 neural net potential with python interface (ASE)

A Julia-based framework for molecular modelling

Icolos: A workflow manager for structure based post-processing of de novo generated small molecules

CUDA programming in Julia.

Explicit SIMD vector operations for Julia

Flight rules for git

A Julia package to read, write and manipulate macromolecular structures

Graph-based molecule modeling toolkit for cheminformatics

Library for compile-time computing in julia

A repository to complex use cases examples of ProtoSyn.jl

The single instruction C compiler

UniRep model, usage, and examples.

A generic, simple and fast implementation of Deepmind's AlphaZero algorithm.

Code for our paper "Protein sequence design with a learned potential"

Code for article "Current structure predictors are not learning the physics of protein folding" by Outeiral et al. (Bioinformatics, 2022)

Run keras models with a Flux backend

A Julian abstract interface for atomic structures.

Paper: Fast and accurate prediction of partial charges using Atom-Path-Descriptor-based machine learning

Birds of Feather discussion at the Juliacon2021

Julia package towards classical molecular modeling of nanoporous materials

JavaScript framework for visual programming

A list of SaaS, PaaS and IaaS offerings that have free tiers of interest to devops and infradev

Turn (almost) any Python command line program into a full GUI application with one line

Molecular simulation in Julia

Density-functional toolkit

Display Matplotlib plots in the console