Alternatives and similar repositories for parallel-programming

Users that are interested in parallel-programming are comparing it to the libraries listed below

• smeerten / ssnake
  A program for the analysis of NMR data.
  ☆27Updated last year
• grimme-lab / qc2-teaching
  Resources for teaching quantum chemistry courses in Bonn
  ☆42Updated 5 months ago
• Cascella-Group-UiO / HyMD
  Massively parallel hybrid particle-field molecular dynamics in Python.
  ☆29Updated last year
• RMGDFT / rmgdft
  RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…
  ☆55Updated this week
• chrisjsewell / ipymd
  Analysis of Molecular Dynamics output in the IPython Notebook
  ☆10Updated 8 years ago
• NWChemEx / NWChemEx
  A top-level, user-focused, conglomerate repo for the NWChemEx project.
  ☆18Updated last month
• VlachosGroup / renview
  The Reaction Network Viewer (ReNView) generates a graphic representation of the reaction fluxes within the system essential for identifyi…
  ☆24Updated last year
• arm61 / pylj
  Teaching Utility for Classical Atomistic Simulation.
  ☆30Updated last year
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆39Updated this week
• ur-whitelab / hoomd-tf
  A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD
  ☆33Updated last year
• semodi / neuralxc
  Implementation of a machine learned density functional
  ☆36Updated last year
• libmbd / libmbd
  Many-body dispersion library
  ☆57Updated 2 months ago
• bjmorgan / lattice_mc
  Lattice gas Monte Carlo simulation code
  ☆35Updated 5 years ago
• dftd3 / simple-dftd3
  Library first implementation of the D3 dispersion correction
  ☆76Updated 4 months ago
• GOMC-WSU / GOMC
  GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems
  ☆85Updated last month
• jevandezande / spectra
  A package for plotting and manipulating 1D spectra
  ☆12Updated last year
• MLMI2-CSSI / foundry
  Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry
  ☆85Updated 2 weeks ago
• theochem / denspart
  Atoms-in-molecules density partitioning schemes based on stockholder recipe
  ☆22Updated 3 weeks ago
• glotzerlab / freud-examples
  Examples for the freud library.
  ☆14Updated last week
• evangelistalab / fortecubeview
  A simple cube file viewer based on pythreejs
  ☆25Updated 2 years ago
• psi4 / gau2grid
  Fast computation of a gaussian and its derivative on a grid.
  ☆31Updated 3 months ago
• lab-cosmo / librascal
  A scalable and versatile library to generate representations for atomic-scale learning
  ☆83Updated 2 years ago
• osscar-org / jupyterlab-mol-visualizer
  A JupyterLab launcher extension to view the molecular orbitals.
  ☆19Updated last year
• mala-project / mala
  Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.
  ☆97Updated last week
• SSAGESproject / SSAGES
  Software Suite for Advanced General Ensemble Simulations
  ☆89Updated 2 years ago
• ReactionMechanismGenerator / ARC
  ARC - Automatic Rate Calculator
  ☆48Updated this week
• mphowardlab / azplugins
  A HOOMD-blue component for soft matter simulations.
  ☆25Updated last week
• votca / xtp
  GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…
  ☆29Updated 4 years ago
• materialsproject / jobflow
  jobflow is a library for writing computational workflows.
  ☆117Updated last week
• mosdef-hub / mbuild_tutorials
  A set of tutorials to introduce new users to mBuild
  ☆11Updated 4 years ago