jtcrum / zseLinks
Zeolite Simulation Environment
☆21Updated last week
Alternatives and similar repositories for zse
Users that are interested in zse are comparing it to the libraries listed below
Sorting:
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆57Updated this week
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆40Updated last year
- Python library for the construction of porous materials using topology and building blocks.☆73Updated 4 months ago
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆22Updated 2 months ago
- ☆69Updated 2 years ago
- 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
- Object-oriented refactoring of the YARP package☆19Updated 2 weeks ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆11Updated 2 years ago
- Python package to interact with high-dimensional representations of the chemical elements☆44Updated last week
- Basic sanity checks for MOFs.☆30Updated 2 years ago
- ☆61Updated 4 years ago
- A collection of tools I created related to the molecular simulations package RASPA.☆11Updated last year
- zeo++ fork of the LSMO☆18Updated 2 years ago
- Code for automated fitting of machine learned interatomic potentials.☆125Updated this week
- Active Learning for Machine Learning Potentials☆58Updated last month
- GRACE models and gracemaker (as implemented in TensorPotential package)☆74Updated 2 weeks ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 6 months ago
- GPU Monte Carlo Simulation Code with a taste of RASPA☆71Updated last month
- A... M... L...☆50Updated 3 years ago
- OVITO Python modifier to compute the Warren-Cowley parameters.☆34Updated 6 months ago
- A system for rapid identification and analysis of metal-organic frameworks☆59Updated 10 months ago
- ☆94Updated last week
- ☆30Updated 2 months ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆69Updated last year
- This software is a general purpose classical simulation package. Online documentation available at:☆71Updated this week
- Automated creation and manipulation of Chemical Reaction Networks (CRNs) in heterogeneous catalysis, allowing the evaluation of species a…☆34Updated this week
- A flexible workflow for on-the-fly learning of interatomic potential models.☆30Updated this week
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆54Updated last year
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆60Updated 3 months ago
- Tutorial exercises for the OPTIMADE API☆16Updated 2 years ago