Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs
☆47Oct 22, 2023Updated 2 years ago
Alternatives and similar repositories for CURATED-COFs
Users that are interested in CURATED-COFs are comparing it to the libraries listed below
Sorting:
- ☆69Mar 13, 2024Updated last year
- ☆18Feb 1, 2023Updated 3 years ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 2 years ago
- Basic sanity checks for MOFs.☆35Jun 17, 2023Updated 2 years ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- Python library for the construction of porous materials using topology and building blocks.☆85May 28, 2025Updated 9 months ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆62Oct 2, 2025Updated 5 months ago
- Charge equilibration method for crystal structures☆17Dec 16, 2022Updated 3 years ago
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆30Jul 28, 2025Updated 7 months ago
- PSA simulation code☆21Jan 27, 2023Updated 3 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 …☆17Feb 21, 2024Updated 2 years ago
- ☆41Jan 17, 2025Updated last year
- predicting charges on MOF atoms via a message passing MOFs☆24Aug 18, 2020Updated 5 years ago
- A Python library to apply the Marginal Standard Error Rule (MSER) for transient regime detection and truncation on Grand Canonical Monte …☆28May 8, 2025Updated 10 months ago
- A collection of tools I created related to the molecular simulations package RASPA.☆12Dec 4, 2023Updated 2 years ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆21Jun 21, 2023Updated 2 years ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆159Nov 15, 2025Updated 3 months ago
- ☆70Apr 7, 2021Updated 4 years ago
- Simulates molecular adsorption and diffusion on nanoporous materials.☆18Dec 13, 2024Updated last year
- open data sets for machine learning pertaining to porous materials☆28Nov 28, 2023Updated 2 years ago
- ☆32Jul 25, 2025Updated 7 months ago
- zeo++ fork of the LSMO☆23Dec 19, 2022Updated 3 years ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆58Dec 29, 2023Updated 2 years ago
- A workflow to create computation-ready metal-organic framework database.☆32Oct 9, 2025Updated 5 months ago
- Classical molecular simulation code☆163Jul 13, 2024Updated last year
- A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks☆14Jul 15, 2020Updated 5 years ago
- Julia Bindings for Atomic Simulation Environment☆38Nov 10, 2020Updated 5 years ago
- GPU Monte Carlo Simulation Code with a taste of RASPA☆79Jan 4, 2026Updated 2 months ago
- This software is a general purpose classical simulation package. Online documentation available at:☆93Updated this week
- A conda-smithy repository for lammps.☆10Sep 12, 2025Updated 5 months ago
- A Newtonian message passing network for deep learning of interatomic potentials and forces☆45Feb 25, 2026Updated last week
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆164May 24, 2023Updated 2 years ago
- CoRE-MOF as a Python package☆22Nov 21, 2024Updated last year
- ☆10Mar 25, 2023Updated 2 years ago
- Modification of RASPA2 code for GC-TMMC simulations☆13Apr 18, 2024Updated last year
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆12Nov 22, 2024Updated last year
- Chemical Data Science and Engineering - University of Toronto☆22Nov 21, 2025Updated 3 months ago
- ☆19Jun 29, 2017Updated 8 years ago
- Licensed under Academic Non-Commercial Share-Alike License☆18Sep 3, 2025Updated 6 months ago