fairen-group / betsi-guiLinks
BET Surface Identification - a program that fully implements the rouquerol criteria
☆21Updated 2 years ago
Alternatives and similar repositories for betsi-gui
Users that are interested in betsi-gui are comparing it to the libraries listed below
Sorting:
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆17Updated last year
- zeo++ fork of the LSMO☆18Updated 2 years ago
- Simulation data, analysis notebook, and codes to reproduce our work☆11Updated last month
- ☆39Updated 7 months ago
- Charge equilibration method for crystal structures☆13Updated 2 years ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Updated 9 months ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆11Updated 2 years ago
- ☆67Updated 2 years ago
- Jupyter Book source files for 2022 MSD summer research internship.☆13Updated 2 years ago
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆25Updated 7 months ago
- Python package to interact with high-dimensional representations of the chemical elements☆44Updated this week
- A collection of tools I created related to the molecular simulations package RASPA.☆11Updated last year
- ☆18Updated 4 years ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆14Updated 2 years ago
- A universal file format for gas adsorption experiments☆19Updated 2 months ago
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆38Updated last year
- Tool for finding atomic environments in crystal structures☆22Updated 3 months ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆73Updated last week
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆40Updated 2 weeks ago
- Grand canonical optimization of grain boundary phases.☆26Updated 3 months ago
- Quick Uncertainty and Entropy via STructural Similarity☆47Updated 2 months ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆24Updated 2 years ago
- ☆23Updated 2 years ago
- ☆45Updated 5 years ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆56Updated 3 weeks ago
- Python interface for Enhanced Monte Carlo (EMC)☆20Updated last week
- Zeolite Simulation Environment☆21Updated last year
- AiiDA workflows for the LSMO laboratory at EPFL☆10Updated last year
- Software for evaluating pareto-optimal synthesis pathways☆25Updated last year