Alternatives and similar repositories for api

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

• materialsproject / atomate2
  atomate2 is a library of computational materials science workflows
  ☆223Updated last week
• SMTG-Bham / doped
  doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…
  ☆192Updated this week
• materialsvirtuallab / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆121Updated last week
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆121Updated last week
• materialsproject / workshop
  The Materials Project Workshop Curriculum
  ☆116Updated 2 years ago
• janosh / pymatviz
  A toolkit for visualizations in materials informatics.
  ☆235Updated last week
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆94Updated this week
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆150Updated this week
• nanotheorygroup / kaldo
  Anharmonic Lattice Dynamics
  ☆140Updated last week
• msg-byu / enumlib
  Derivative structure enumeration library
  ☆75Updated 7 months ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆79Updated this week
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆165Updated 2 weeks ago
• njszym / XRD-AutoAnalyzer
  ☆93Updated 5 months ago
• ACEsuit / mace-foundations
  MACE foundation models (MP, OMAT, Matpes)
  ☆123Updated 2 weeks ago
• JaGeo / LobsterPy
  Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…
  ☆96Updated last week
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆90Updated last year
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆129Updated 7 months ago
• CederGroupHub / smol
  Statistical Mechanics on Lattices
  ☆82Updated last week
• janosh / matbench-discovery
  An evaluation framework for machine learning models simulating high-throughput materials discovery.
  ☆161Updated this week
• JARVIS-Materials-Design / jarvis-tools-notebooks
  A Google-Colab Notebook Collection for Materials Design: https://jarvis.nist.gov/
  ☆86Updated last month
• Andrew-S-Rosen / QMOF
  The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.
  ☆145Updated 3 weeks ago
• CederGroupHub / chgnet
  Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
  ☆313Updated 2 months ago
• materialsproject / crystaltoolkit
  Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.
  ☆173Updated this week
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆87Updated 9 months ago
• materialsvirtuallab / mlearn
  Benchmark Suite for Machine Learning Interatomic Potentials for Materials
  ☆108Updated 3 years ago
• SMTG-Bham / sumo
  Heavyweight plotting tools for ab initio calculations
  ☆225Updated last month
• WMD-group / SMACT
  Python package to aid materials design and informatics
  ☆110Updated last week
• ICAMS / python-ace
  ☆86Updated 7 months ago
• raman-sc / VASP
  Python program to evaluate off-resonance Raman activity using VASP code as the backend.
  ☆172Updated 8 years ago
• materialsvirtuallab / matcalc
  A python library for calculating materials properties from the PES
  ☆93Updated last week