Alternatives and similar repositories for rdfpy

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

• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆46Updated 3 weeks ago
• lammpstutorials / lammpstutorials-article
  LAMMPS tutorials for both beginners and advanced users: the article
  ☆25Updated last week
• mir-group / flare_pp
  A many-body extension of the FLARE code.
  ☆36Updated 3 years ago
• ML-Materials-Standards / ml-materials-checklist
  ☆34Updated 8 months ago
• killiansheriff / AtomisticReverseMonteCarlo
  OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.
  ☆25Updated 5 months ago
• deepmodeling / dpti
  A Python Package to Automate Thermodynamic Integration Calculations for Free Energy
  ☆29Updated last week
• ceriottm / ale-notebooks
  Jupyter notebook for an introduction to atomic-scale machine learning class
  ☆12Updated last year
• libAtoms / matscipy
  Materials science with Python at the atomic-scale
  ☆212Updated last week
• theochem / tinydft
  A minimalistic atomic Density Functional Theory (DFT) code
  ☆137Updated last week
• mala-project / mala
  Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.
  ☆93Updated last month
• lab-cosmo / librascal
  A scalable and versatile library to generate representations for atomic-scale learning
  ☆81Updated last year
• CompRhys / aviary
  The Wren sits on its Roost in the Aviary.
  ☆58Updated last week
• uf3 / uf3
  UF3: a python library for generating ultra-fast interatomic potentials
  ☆68Updated last month
• i-pi / pimd-mooc
  Interactive tutorials for the PIMD Massive Open Online Course
  ☆23Updated last year
• jkitchin / dft-book-espresso
  New version of dft-book for Quantum Espresso
  ☆45Updated 5 years ago
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆39Updated last month
• libAtoms / GAP
  ☆43Updated 2 months ago
• kinisi-dev / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆69Updated this week
• materialsproject / pyrho
  ☆40Updated 2 weeks ago
• superstar54 / x3dase
  X3D for Atomic Simulation Environment
  ☆14Updated 4 years ago
• amepproject / amep
  The Active Matter Evaluation Package (AMEP) - a Python library for the analysis of particle-based and continuum simulation data of soft a…
  ☆21Updated 3 weeks ago
• libAtoms / workflow
  python workflow toolkit
  ☆40Updated this week
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆39Updated last week
• ICAMS / lammps-user-pace
  ☆29Updated 6 months ago
• enze-chen / grip
  Grand canonical optimization of grain boundary phases.
  ☆24Updated 2 months ago
• VlachosGroup / pMuTT
  Python Multiscale Thermochemistry Toolbox (pMuTT)
  ☆46Updated last month
• lmhale99 / atomman
  Atomistic Manipulation Toolkit
  ☆36Updated last week
• rk-lindsey / chimes_calculator
  Tools to interface ChIMES with various external codes.
  ☆22Updated last month
• ml-electron-project / NNfunctional
  ☆38Updated 5 years ago
• semodi / neuralxc
  Implementation of a machine learned density functional
  ☆35Updated last year