JosePereiraUA

JosePereiraUA's Stars

• ripienaar/free-for-dev

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

  Language:HTML90.5k1.6k09.8k

• k88hudson/git-flight-rules

  Flight rules for git

  41.9k655733.2k

• chriskiehl/Gooey

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

  Language:Python20.7k2816031k

• retejs/rete

  JavaScript framework for visual programming

  Language:TypeScript10.2k158595654

• xoreaxeaxeax/movfuscator

  The single instruction C compiler

  Language:C9.5k20740398

• mossr/BeautifulAlgorithms.jl

  Concise and beautiful algorithms written in Julia

  Language:Julia1.3k23791

• jonathan-laurent/AlphaZero.jl

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

  Language:Julia1.2k26146140

• JuliaGPU/CUDA.jl

  CUDA programming in Julia.

  Language:Julia1.2k201.1k225

• a-r-j/graphein

  Protein Graph Library

  Language:Jupyter Notebook1k18155132

• JuliaMolSim/DFTK.jl

  Density-functional toolkit

  Language:Julia4451726989

• JuliaMolSim/Molly.jl

  Molecular simulation in Julia

  Language:Julia408186254

• churchlab/UniRep

  UniRep model, usage, and examples.

  Language:Python341142796

• isayev/ASE_ANI

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

  Language:Python219333755

• mojaie/MolecularGraph.jl

  Graph-based molecule modeling toolkit for cheminformatics

  Language:Julia202118729

• eschnett/SIMD.jl

  Explicit SIMD vector operations for Julia

  Language:Julia17296435

• BioJulia/BioStructures.jl

  A Julia package to read, write and manipulate macromolecular structures

  Language:Julia9581822

• JuliaMolSim/AtomsBase.jl

  A Julian abstract interface for atomic structures.

  Language:Julia84136218

• ProteinDesignLab/protein_seq_des

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

  Language:Python774020

• AlgebraicJulia/CompTime.jl

  Library for compile-time computing in julia

  Language:Julia70933

• sergio-santos-group/ProtoSyn.jl

  A Julia-based framework for molecular modelling

  Language:Julia587287

• MolecularAI/Icolos

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

  Language:Python545014

• SimonEnsemble/PorousMaterials.jl

  Julia package towards classical molecular modeling of nanoporous materials

  Language:Jupyter Notebook51106111

• ayush1999/Keras.jl

  Run keras models with a Flux backend

  Language:Julia20433

• jkwang93/Atom-Path-Descriptor-based-machine-learning

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

  Language:Python9123

• JuliaMolSim/Juliacon2021

  Birds of Feather discussion at the Juliacon2021

  81001

• oxpig/structure-vs-folding

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

  Language:Python800

• sergio-santos-group/Nonbonded.jl

  Language:Julia50

• sergiomsantos/tplot

  Display Matplotlib plots in the console

  Language:Python4100

• JosePereiraUA/ProtoSyn-use-cases

  A repository to complex use cases examples of ProtoSyn.jl

  Language:Jupyter Notebook2100