Alternatives and similar repositories for pymatgen

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

• hackingmaterials / matminer
  Data mining for materials science
  ☆520Updated last week
• materialsvirtuallab / matgenb
  Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
  ☆244Updated last week
• phonopy / phonopy
  Phonon code
  ☆392Updated this week
• hackingmaterials / atomate
  atomate is a powerful software for computational materials science and contains pre-built workflows.
  ☆252Updated 9 months ago
• materialsvirtuallab / megnet
  Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
  ☆529Updated 2 years ago
• libAtoms / QUIP
  libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
  ☆360Updated 3 weeks ago
• deepmodeling / dpgen
  The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
  ☆336Updated last week
• materialsvirtuallab / maml
  Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
  ☆413Updated last week
• pyiron / pyiron
  pyiron - an integrated development environment (IDE) for computational materials science.
  ☆400Updated 2 weeks ago
• SINGROUP / dscribe
  DScribe is a python package for creating machine learning descriptors for atomistic systems.
  ☆431Updated 4 months ago
• spglib / spglib
  C library for finding and handling crystal symmetries
  ☆315Updated this week
• PytLab / VASPy
  Manipulating VASP files with Python.
  ☆282Updated 2 years ago
• CederGroupHub / chgnet
  Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
  ☆301Updated last month
• pycalphad / pycalphad
  CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.
  ☆326Updated last week
• ACEsuit / mace
  MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
  ☆710Updated last week
• mir-group / nequip
  NequIP is a code for building E(3)-equivariant interatomic potentials
  ☆723Updated this week
• MaterSim / PyXtal
  A code to generate atomic structure with symmetry
  ☆311Updated this week
• tilde-lab / awesome-materials-informatics
  Curated list of known efforts in materials informatics, i.e. in modern materials science
  ☆440Updated last week
• jkitchin / dft-book
  A book on modeling materials using VASP, ase and vasp
  ☆387Updated 9 months ago
• dftbplus / dftbplus
  DFTB+ general package for performing fast atomistic simulations
  ☆359Updated this week
• mrkllntschpp / lammps-tutorials
  LAMMPS tutorials for Beginners
  ☆386Updated 2 years ago
• QEF / q-e
  Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.
  ☆595Updated 2 months ago
• plumed / plumed2
  Development version of plumed 2
  ☆424Updated last week
• materialsvirtuallab / matgl
  Graph deep learning library for materials
  ☆346Updated this week
• mir-group / allegro
  Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials
  ☆391Updated last week
• grimme-lab / xtb
  Semiempirical Extended Tight-Binding Program Package
  ☆650Updated last week
• sedaoturak / data-resources-for-materials-science
  A list of databases, datasets and books/handbooks where you can find materials properties for machine learning applications.
  ☆335Updated 4 months ago
• psi4 / psi4
  Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
  ☆1,053Updated last week
• JuDFTteam / best-of-atomistic-machine-learning
  🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
  ☆490Updated this week
• nwchemgit / nwchem
  NWChem: Open Source High-Performance Computational Chemistry
  ☆540Updated this week