José Pereira (JosePereiraUA)

JosePereiraUA

Geek Repo

Location:Aveiro, Portugal

Github PK Tool:Github PK Tool

José Pereira's starred repositories

BeautifulAlgorithms.jl

Concise and beautiful algorithms written in Julia

Language:JuliaStargazers:1320Issues:0Issues:0

graphein

Protein Graph Library

Language:Jupyter NotebookLicense:MITStargazers:1017Issues:0Issues:0

ASE_ANI

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

Language:PythonLicense:MITStargazers:220Issues:0Issues:0

ProtoSyn.jl

A Julia-based framework for molecular modelling

Language:JuliaLicense:AGPL-3.0Stargazers:58Issues:0Issues:0

Icolos

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

Language:PythonLicense:Apache-2.0Stargazers:53Issues:0Issues:0

CUDA.jl

CUDA programming in Julia.

Language:JuliaLicense:NOASSERTIONStargazers:1188Issues:0Issues:0

SIMD.jl

Explicit SIMD vector operations for Julia

Language:JuliaLicense:NOASSERTIONStargazers:166Issues:0Issues:0

git-flight-rules

Flight rules for git

License:CC-BY-SA-4.0Stargazers:41701Issues:0Issues:0

BioStructures.jl

A Julia package to read, write and manipulate macromolecular structures

Language:JuliaLicense:NOASSERTIONStargazers:93Issues:0Issues:0

MolecularGraph.jl

Graph-based molecule modeling toolkit for cheminformatics

Language:JuliaLicense:MITStargazers:194Issues:0Issues:0

CompTime.jl

Library for compile-time computing in julia

Language:JuliaLicense:MITStargazers:70Issues:0Issues:0

ProtoSyn-use-cases

A repository to complex use cases examples of ProtoSyn.jl

Language:Jupyter NotebookStargazers:2Issues:0Issues:0

movfuscator

The single instruction C compiler

Language:CLicense:NOASSERTIONStargazers:9325Issues:0Issues:0

UniRep

UniRep model, usage, and examples.

Language:PythonStargazers:334Issues:0Issues:0

AlphaZero.jl

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

Language:JuliaLicense:MITStargazers:1232Issues:0Issues:0

protein_seq_des

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

Language:PythonLicense:BSD-3-ClauseStargazers:75Issues:0Issues:0

structure-vs-folding

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

Stargazers:8Issues:0Issues:0

Keras.jl

Run keras models with a Flux backend

Language:JuliaLicense:MITStargazers:20Issues:0Issues:0

AtomsBase.jl

A Julian abstract interface for atomic structures.

Language:JuliaLicense:MITStargazers:81Issues:0Issues:0

Atom-Path-Descriptor-based-machine-learning

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

Language:PythonStargazers:9Issues:0Issues:0

Juliacon2021

Birds of Feather discussion at the Juliacon2021

Stargazers:8Issues:0Issues:0

PorousMaterials.jl

Julia package towards classical molecular modeling of nanoporous materials

Language:Jupyter NotebookLicense:GPL-3.0Stargazers:50Issues:0Issues:0

rete

JavaScript framework for visual programming

Language:TypeScriptLicense:MITStargazers:9934Issues:0Issues:0

free-for-dev

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

Language:HTMLStargazers:86607Issues:0Issues:0

Gooey

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

Language:PythonLicense:MITStargazers:20544Issues:0Issues:0

Molly.jl

Molecular simulation in Julia

Language:JuliaLicense:NOASSERTIONStargazers:386Issues:0Issues:0

DFTK.jl

Density-functional toolkit

Language:JuliaLicense:MITStargazers:425Issues:0Issues:0
Language:JuliaLicense:MITStargazers:5Issues:0Issues:0

tplot

Display Matplotlib plots in the console

Language:PythonLicense:MITStargazers:4Issues:0Issues:0