Alternatives and similar repositories for pythia:

Users that are interested in pythia are comparing it to the libraries listed below

• glotzerlab / software
  Conda recipes for Glotzer Lab software on HPC resources
  ☆11Updated 2 weeks ago
• glotzerlab / gsd
  Read and write GSD files for use with HOOMD-blue.
  ☆25Updated last week
• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆35Updated 5 months ago
• glotzerlab / plato
  Efficient visualization of particle data supporting several rendering engines.
  ☆12Updated 3 years ago
• glotzerlab / signac-flow
  Workflow management for signac-managed data spaces.
  ☆47Updated 2 weeks ago
• pyscal / pyscal
  Python library written in C++ for calculation of local atomic structural environment
  ☆60Updated 7 months ago
• lab-cosmo / librascal
  A scalable and versatile library to generate representations for atomic-scale learning
  ☆80Updated last year
• ur-whitelab / hoomd-tf
  A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD
  ☆31Updated 8 months ago
• usnistgov / iprPy
  NIST Interatomic Potential Repository property calculation tools
  ☆22Updated 11 months ago
• pyiron / executorlib
  Up-scale python functions for high performance computing (HPC)
  ☆30Updated last week
• materialsproject / MPWorks
  merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project
  ☆23Updated 5 years ago
• lmmentel / ase-espresso
  ase interface for Quantum Espresso
  ☆22Updated 4 years ago
• libAtoms / pymatnest
  Nested Sampling code
  ☆31Updated 7 months ago
• vincefn / objcryst
  Free Objects for Crystallography : Fox / ObjCryst++
  ☆23Updated 7 months ago
• benlabs / sassena
  Sassena — X-ray and neutron scattering calculated from molecular dynamics trajectories using massively parallel computers
  ☆15Updated 8 years ago
• chrisjsewell / ipymd
  Analysis of Molecular Dynamics output in the IPython Notebook
  ☆10Updated 8 years ago
• materials-data-facility / forge
  Forge is the Python package to access data in the Materials Data Facility
  ☆31Updated 2 years ago
• materialsproject / maggma
  Building blocks for scientific data pipelines
  ☆39Updated last week
• aiidalab / aiidalab
  Implements core functions for AiiDAlab.
  ☆16Updated 2 weeks ago
• lmhale99 / atomman
  Atomistic Manipulation Toolkit
  ☆36Updated 3 weeks ago
• ElectronicStructureLibrary / libxc
  Library of exchange-correlation functionals for density-functional theory. Please note that this is a mirror of https://gitlab.com/libxc/…
  ☆43Updated 2 years ago
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆45Updated this week
• materialsproject / jobflow
  jobflow is a library for writing computational workflows.
  ☆103Updated last week
• dftd3 / simple-dftd3
  Library first implementation of the D3 dispersion correction
  ☆64Updated last week
• alesgenova / pbcpy
  Python package providing some useful tools when dealing with molecules and materials under periodic boundary conditions and uniform grids…
  ☆20Updated 4 years ago
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆136Updated last week
• materialsvirtuallab / monty
  This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful u…
  ☆79Updated this week
• bjmorgan / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆65Updated 3 weeks ago
• glotzerlab / ovito-scripts
  A collection of scripts for pairing OVITO with freud and other Glotzer lab packages
  ☆14Updated 2 weeks ago
• SSAGESproject / SSAGES
  Software Suite for Advanced General Ensemble Simulations
  ☆87Updated 2 years ago