Alternatives and similar repositories for catmap:

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

• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆90Updated 8 months ago
• jrschmidt2 / micki
  Object-oriented microkinetic modeling package using ASE
  ☆21Updated last year
• materialsvirtuallab / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆107Updated this week
• oekosheri / GB_code
  A grain boundary generation code
  ☆63Updated last year
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆121Updated 4 months ago
• WMD-group / SMACT
  Python package to aid materials design and informatics
  ☆104Updated this week
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆85Updated 6 months ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆51Updated 6 years ago
• materialsproject / workshop
  The Materials Project Workshop Curriculum
  ☆114Updated 2 years ago
• zhenxingwang / lammps-conp
  Constant potential method in LAMMPS
  ☆49Updated last year
• henniggroup / VASPsol
  Solvation model for the plane wave DFT code VASP.
  ☆148Updated 7 months ago
• USCCACS / ThermalTools
  LAMMPS plugins for thermal conductivity and density of states calculation
  ☆46Updated 6 years ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆76Updated 3 months ago
• SMTG-Bham / doped
  doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…
  ☆163Updated this week
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆39Updated 2 years ago
• VASPsol / VASPsol
  ☆46Updated 11 months ago
• ulissigroup / vasp-interactive
  ☆66Updated last year
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆86Updated last year
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆127Updated 2 years ago
• MaginnGroup / PyLAT
  ☆107Updated 2 years ago
• materialsproject / mpmorph
  MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…
  ☆67Updated last year
• ulissigroup / GASpy
  ☆67Updated 3 years ago
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆111Updated 2 months ago
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆41Updated 2 months ago
• spparks / spparks
  SPPARKS Kinetic and Metropolis Monte Carlo simulator
  ☆64Updated 2 months ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆54Updated 4 months ago
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆66Updated 7 months ago
• vasp-dev / py4vasp
  Python interface for VASP
  ☆81Updated this week
• materialsvirtuallab / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆37Updated 4 years ago
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆46Updated last month