Alternatives and similar repositories for OpenFerro

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

• mzjb / xDeepH
  Extended DeepH (xDeepH) method for magnetic materials.
  ☆37Updated 2 years ago
• Yi-FanLi / DP-PIMD
  A lammps fix module to perform path integral molecular dynamics (PIMD) tasks.
  ☆9Updated 3 years ago
• CSIprinceton / workshop-july-2023
  Deep Modeling for Molecular Simulation 2023, four-day in-person workshop, July 11-14, 2023
  ☆20Updated 2 years ago
• libAtoms / workflow
  python workflow toolkit
  ☆40Updated 3 weeks ago
• deepmodeling / DeePTB
  DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.
  ☆83Updated 3 weeks ago
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆47Updated last month
• ACEsuit / ACEpotentials.jl
  Machine Learning Interatomic Potentials with the Atomic Cluster Expansion
  ☆59Updated 2 weeks ago
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆70Updated 2 months ago
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆39Updated 2 months ago
• deepmodeling / dpti
  A Python Package to Automate Thermodynamic Integration Calculations for Free Energy
  ☆29Updated last week
• lmhale99 / iprPy
  NIST Interatomic Potential Repository property calculation tools
  ☆12Updated this week
• atomicarchitects / phonax
  ☆21Updated last year
• uf3 / uf3
  UF3: a python library for generating ultra-fast interatomic potentials
  ☆68Updated 2 months ago
• superstar54 / weas-widget
  A widget to visualize and edit atomic structures in Jupyter Notebook
  ☆35Updated 5 months ago
• microsoft / oneqmc
  Pretrained model for molecular wavefunctions
  ☆37Updated 2 weeks ago
• ifilot / pypwdft
  Python-based plane wave density functional theory code for educational purposes
  ☆30Updated 4 months ago
• EACcodes / PROFESS
  PRinceton Orbital-Free Electronic Structure Software
  ☆29Updated 5 years ago
• MineralsCloud / pgm
  Calculate thermodynamic properties of matter using phonon gas model (PGM)
  ☆16Updated last year
• bytedance / byteqc
  ☆90Updated 2 months ago
• rk-lindsey / chimes_calculator
  Tools to interface ChIMES with various external codes.
  ☆22Updated 2 months ago
• lanl / NEXMD
  ☆30Updated last year
• dralgroup / MLinQCbook22
  ☆26Updated 2 years ago
• wexlergroup / FreeBird.jl
  Free energy calculators by Bayesian-inspired nested sampling and other integration techniques
  ☆18Updated this week
• lab-cosmo / nice
  ☆12Updated last year
• ICAMS / lammps-user-pace
  ☆29Updated 7 months ago
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆67Updated 6 months ago
• ICAMS / python-ace
  ☆89Updated 8 months ago
• dalcorso / thermo_pw
  Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.
  ☆54Updated this week
• ceriottm / iam-notebooks
  Jupyter notebooks for the lectures of the Introduction to Atomistic Modeling
  ☆30Updated last month
• SparkyTruck / deepmd-jax
  A lightweight DeepPotentialMD with JAX backend, and more than that! Built for both performance and flexibility in pure Python.
  ☆31Updated 3 months ago