Alternatives and similar repositories for KiMoPack

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

• gustavochm / sgtpy
  ☆44Updated 4 months ago
• gusmaogabriels / mkin4py
  A general linear model for microkinetic catalytic systems.
  ☆10Updated 2 years ago
• VlachosGroup / pMuTT
  Python Multiscale Thermochemistry Toolbox (pMuTT)
  ☆47Updated 2 months ago
• lammps / pizza
  Pizza.py is a loosely integrated collection of tools written in Python, many of which provide pre- and post-processing capability for th…
  ☆67Updated 4 years ago
• KingsburyLab / pyEQL
  A Python library for solution chemistry
  ☆70Updated last week
• jkitchin / f19-06623
  Course repository for 06-623
  ☆13Updated 5 years ago
• gudasergey / pyFitIt
  Python implementation of FitIt software to fit X-ray absorption near edge structure (XANES) extended with additional features.
  ☆37Updated 9 months ago
• amvro23 / adsorption
  A Python package for adsorption processes
  ☆26Updated 3 weeks ago
• bjheinen / LiquidDiffract
  LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.
  ☆20Updated 3 months ago
• osscar-org / widget-bandsplot
  A Jupyter widget to plot bandstructure and density of states.
  ☆16Updated last year
• edgarsmdn / GH-GNN
  Gibbs-Helmholtz Graph Neural Network
  ☆19Updated 2 years ago
• osscar-org / jupyterlab-mol-visualizer
  A JupyterLab launcher extension to view the molecular orbitals.
  ☆19Updated last year
• gustavochm / phasepy
  ☆99Updated 4 months ago
• times-software / feff10
  ☆28Updated 2 months ago
• ulissigroup / math-methods-chemical-engineering
  Course notes for the CMU course 06-262 Math Methods of Chemical Engineering (ODE's, linear algebra, PDEs, stats) in the form of jupyter n…
  ☆24Updated 2 years ago
• symmy596 / SurfinPy
  Thermodynamic Phase Diagram Generator
  ☆55Updated 3 years ago
• ipqa-research / ugropy
  A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integr…
  ☆25Updated 2 months ago
• Abravene / Python-Notebooks-for-Physical-Chemistry
  Interactive Python Notebooks for Physical Chemistry
  ☆30Updated 2 years ago
• VlachosGroup / Intro-to-KMC
  Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks
  ☆26Updated 6 years ago
• PyXRD / PyXRD
  PyXRD is a python implementation of the matrix algorithm for computer modeling of X-ray diffraction (XRD) patterns of disordered lamellar…
  ☆62Updated 5 years ago
• materialsproject / MPContribs
  Platform for materials scientists to contribute and disseminate their materials data through Materials Project
  ☆39Updated last week
• spectrochempy / spectrochempy
  SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
  ☆150Updated this week
• pauliacomi / pyGAPS
  A framework for processing adsorption data and isotherm fitting
  ☆74Updated 6 months ago
• zmeri / PC-SAFT
  Functions implementing the PC-SAFT equation of state, including association, electrolyte and dipole terms
  ☆54Updated last year
• HugoMVale / polykin
  Polymerization kinetics python package
  ☆14Updated last week
• ReactionMechanismGenerator / RMG-database
  The database of chemical parameters used with Reaction Mechanism Generator
  ☆116Updated last week
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆91Updated last month
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆96Updated 4 months ago
• mvdh7 / pytzer
  The Pitzer model for chemical activities and equilibria in aqueous solutions in Python
  ☆17Updated 8 months ago
• PEESEgroup / PSA
  PSA simulation code
  ☆17Updated 2 years ago