erdzeichen / KiMoPackLinks
☆14Updated 2 months ago
Alternatives and similar repositories for KiMoPack
Users that are interested in KiMoPack are comparing it to the libraries listed below
Sorting:
- ☆44Updated 6 months ago
- ☆29Updated last month
- Core-Level Spectroscopy Simulations in Python☆42Updated 9 months ago
- A JupyterLab launcher extension to view the molecular orbitals.☆19Updated last year
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆46Updated this week
- A 1D drift-diffusion simulator for semiconductor devices (LEDs, solar cells, diodes, organics, perovskites)☆76Updated 2 months ago
- Course repository for 06-623☆13Updated 5 years ago
- Crystal structure container and parsers for structure formats.☆35Updated 3 months ago
- A Jupyter widget to plot bandstructure and density of states.☆16Updated last year
- Thermodynamic Phase Diagram Generator☆56Updated 3 years ago
- 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
- Python implementation of FitIt software to fit X-ray absorption near edge structure (XANES) extended with additional features.☆39Updated 10 months ago
- Python Multiscale Thermochemistry Toolbox (pMuTT)☆47Updated 3 months ago
- A general linear model for microkinetic catalytic systems.☆10Updated 2 years ago
- Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks☆26Updated 6 years ago
- A Python library for solution chemistry☆70Updated 3 weeks ago
- Platform for materials scientists to contribute and disseminate their materials data through Materials Project☆39Updated this week
- A framework for processing adsorption data and isotherm fitting☆78Updated 8 months ago
- Data structures, algorithms, and parsing for crystallography☆51Updated 9 months ago
- Repository containing code for analysis of Raman and IR spectra datasets☆27Updated 4 years ago
- 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
- Gibbs-Helmholtz Graph Neural Network☆19Updated 2 years ago
- General purpose tools for high-throughput catalysis☆96Updated 5 months ago
- Atomistic Manipulation Toolkit☆92Updated 3 months ago
- Teaching Utility for Classical Atomistic Simulation.☆30Updated last year
- A graphical user interface of Python lmfit package was developed for standard X-ray photoemission spectroscopy (XPS) curve fitting analys…☆54Updated 4 months ago
- Interactive Python Notebooks for Physical Chemistry☆31Updated 2 years ago
- It's a Reverse Monte Carlo (RMC) package, designed with Artificial intelligence and Reinforcement Machine Learning algorithms to solve at…☆37Updated 2 years ago
- ARC - Automatic Rate Calculator☆46Updated this week
- ☆13Updated 2 years ago