Alternatives and similar repositories for KiMoPack

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

• gustavochm / sgtpy
  ☆44Updated 6 months ago
• times-software / feff10
  ☆29Updated last month
• mretegan / crispy
  Core-Level Spectroscopy Simulations in Python
  ☆42Updated 9 months ago
• osscar-org / jupyterlab-mol-visualizer
  A JupyterLab launcher extension to view the molecular orbitals.
  ☆19Updated last year
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆46Updated this week
• kostergroup / SIMsalabim
  A 1D drift-diffusion simulator for semiconductor devices (LEDs, solar cells, diodes, organics, perovskites)
  ☆76Updated 2 months ago
• jkitchin / f19-06623
  Course repository for 06-623
  ☆13Updated 5 years ago
• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆35Updated 3 months ago
• osscar-org / widget-bandsplot
  A Jupyter widget to plot bandstructure and density of states.
  ☆16Updated last year
• symmy596 / SurfinPy
  Thermodynamic Phase Diagram Generator
  ☆56Updated 3 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…
  ☆65Updated 5 years ago
• gudasergey / pyFitIt
  Python implementation of FitIt software to fit X-ray absorption near edge structure (XANES) extended with additional features.
  ☆39Updated 10 months ago
• VlachosGroup / pMuTT
  Python Multiscale Thermochemistry Toolbox (pMuTT)
  ☆47Updated 3 months ago
• gusmaogabriels / mkin4py
  A general linear model for microkinetic catalytic systems.
  ☆10Updated 2 years ago
• VlachosGroup / Intro-to-KMC
  Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks
  ☆26Updated 6 years ago
• KingsburyLab / pyEQL
  A Python library for solution chemistry
  ☆70Updated 3 weeks ago
• materialsproject / MPContribs
  Platform for materials scientists to contribute and disseminate their materials data through Materials Project
  ☆39Updated this week
• pauliacomi / pyGAPS
  A framework for processing adsorption data and isotherm fitting
  ☆78Updated 8 months ago
• LaurentRDC / crystals
  Data structures, algorithms, and parsing for crystallography
  ☆51Updated 9 months ago
• raman-noodles / Raman-noodles
  Repository containing code for analysis of Raman and IR spectra datasets
  ☆27Updated 4 years 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…
  ☆69Updated 4 years ago
• edgarsmdn / GH-GNN
  Gibbs-Helmholtz Graph Neural Network
  ☆19Updated 2 years ago
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆96Updated 5 months ago
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆92Updated 3 months ago
• arm61 / pylj
  Teaching Utility for Classical Atomistic Simulation.
  ☆30Updated last year
• hidecode221b / LG4X
  A graphical user interface of Python lmfit package was developed for standard X-ray photoemission spectroscopy (XPS) curve fitting analys…
  ☆54Updated 4 months ago
• Abravene / Python-Notebooks-for-Physical-Chemistry
  Interactive Python Notebooks for Physical Chemistry
  ☆31Updated 2 years ago
• bachiraoun / fullrmc
  It's a Reverse Monte Carlo (RMC) package, designed with Artificial intelligence and Reinforcement Machine Learning algorithms to solve at…
  ☆37Updated 2 years ago
• ReactionMechanismGenerator / ARC
  ARC - Automatic Rate Calculator
  ☆46Updated this week
• din14970 / TEMMETA
  ☆13Updated 2 years ago