Alternatives and similar repositories for PHYSBO

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

• cmsi / MateriAppsLive
  Live Debian GNU/Linux System for MateriApps Applications
  ☆57Updated 3 weeks ago
• tsudalab / combo3
  COMBO for Python 3
  ☆34Updated 2 years ago
• quantumbeam / BBO-Rietveld
  Automated crystal structure analysis based on blackbox optimisation
  ☆33Updated last year
• tsudalab / PDC
  Efficient phase diagram construction based on uncertainty sampling
  ☆14Updated 3 years ago
• koji-inui / automatic-hamiltonian-design
  ☆35Updated 3 years ago
• matlantis / atomistic-simulation-tutorial
  Atomistic simulation hands on tutorial on Matlantis
  ☆59Updated 2 months ago
• matlantis / matlantis-contrib
  ☆45Updated last week
• tsudalab / combo
  COMmon Bayesian Optimization
  ☆157Updated 4 years ago
• yoshida-lab / XenonPy
  XenonPy is a Python Software for Materials Informatics
  ☆145Updated last year
• hikaruri / OMXsigmaxy
  Computing anomalous Hall conductivity in OpenMX
  ☆11Updated last month
• pyiron / pyiron_meltingpoint
  A fully automated approach to determine the melting temperature of crystalline materials
  ☆20Updated last year
• mjrs33 / paper
  ☆27Updated 3 years ago
• spglib / spgrep
  On-the-fly generator of space-group irreducible representations
  ☆56Updated last week
• tkotani / ecalj
  The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).
  ☆33Updated this week
• pfnet-research / torch-dftd
  pytorch implementation of dftd2 & dftd3 (not actively maintained)
  ☆84Updated 11 months ago
• mala-project / mala
  Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.
  ☆97Updated last month
• originofmatter / MatGAN
  Generative deep learning model for inorganic materials
  ☆18Updated 2 years ago
• giprayogo / SHRY
  A tool for generating unique ordered structures corresponding to a given disordered structure.
  ☆17Updated last year
• amirhajibabaei / AutoForce
  Sparse Gaussian Process Potentials
  ☆28Updated last month
• Tomoki-YAMASHITA / CrySPY
  CrySPY is a crystal structure prediction tool written in Python.
  ☆140Updated 3 weeks ago
• ml-electron-project / NNfunctional
  ☆39Updated 6 years ago
• XanaduAI / GradDFT
  GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine l…
  ☆107Updated last year
• SPARC-X / M-SPARC
  Matlab Simulation Package for Ab-initio Real-space Calculations
  ☆28Updated 11 months ago
• lab-cosmo / SA-GPR
  ☆21Updated 6 years ago
• RMGDFT / rmgdft
  RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…
  ☆51Updated last week
• lab-cosmo / librascal
  A scalable and versatile library to generate representations for atomic-scale learning
  ☆82Updated last year
• theochem / tinydft
  A minimalistic atomic Density Functional Theory (DFT) code
  ☆141Updated this week
• jkitchin / dft-book-espresso
  New version of dft-book for Quantum Espresso
  ☆46Updated 5 years ago
• VlachosGroup / pMuTT
  Python Multiscale Thermochemistry Toolbox (pMuTT)
  ☆47Updated 3 months ago
• by256 / rdfpy
  A Python module for fast computation of 2D and 3D radial distribution functions (RDFs).
  ☆31Updated last year