☆36Mar 4, 2024Updated 2 years ago
Alternatives and similar repositories for Uni-MOF
Users that are interested in Uni-MOF are comparing it to the libraries listed below
Sorting:
- AiiDA workflows for the LSMO laboratory at EPFL☆11Sep 8, 2023Updated 2 years ago
- zeo++ fork of the LSMO☆23Dec 19, 2022Updated 3 years ago
- Basic sanity checks for MOFs.☆35Jun 17, 2023Updated 2 years ago
- ☆18Feb 1, 2023Updated 3 years ago
- A collection of tools I created related to the molecular simulations package RASPA.☆12Dec 4, 2023Updated 2 years ago
- AIM (Adsorption Integrated Modules) is a collection of MATLAB based GUI modules for adsorption isotherm based fixed bed process modelling☆16Nov 14, 2025Updated 3 months ago
- Licensed under Academic Non-Commercial Share-Alike License☆18Sep 3, 2025Updated 6 months ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆30Jul 28, 2025Updated 7 months ago
- Text mining synthesis information in metal organic framework☆13Aug 25, 2021Updated 4 years ago
- predicting charges on MOF atoms via a message passing MOFs☆24Aug 18, 2020Updated 5 years ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆62Sep 10, 2023Updated 2 years ago
- ☆15Sep 14, 2023Updated 2 years ago
- Heat capacity predictor for porous materials☆14Jun 13, 2024Updated last year
- A repository to hold forcefields for molecular mechanics calculations with RASPA☆16Mar 27, 2025Updated 11 months ago
- 适用于多孔材料吸附性质模拟软件——RASPA的脚本工具集合,可用于并行计算等温线、高通量模拟,zeo++参数自动化计算、批量结果分析等。A collection of scripting tools for RASPA, which can be used for para…☆56Apr 1, 2025Updated 11 months ago
- An Integrated VMD Graphical User Interface for Molecular Packing☆32Dec 28, 2024Updated last year
- The MOF website for property prediction and community engagement.☆38Oct 24, 2025Updated 4 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
- Simulates molecular adsorption and diffusion on nanoporous materials.☆18Dec 13, 2024Updated last year
- CoRE-MOF as a Python package☆22Nov 21, 2024Updated last year
- A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks☆14Jul 15, 2020Updated 5 years ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆159Nov 15, 2025Updated 3 months ago
- ☆38Dec 16, 2021Updated 4 years ago
- ☆70Apr 7, 2021Updated 4 years ago
- A system for rapid identification and analysis of metal-organic frameworks☆69Dec 7, 2025Updated 3 months ago
- A workflow to create computation-ready metal-organic framework database.☆32Oct 9, 2025Updated 4 months ago
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆25Jan 20, 2026Updated last month
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆164May 24, 2023Updated 2 years ago
- This software is a general purpose classical simulation package. Online documentation available at:☆93Updated this week
- Design of metal-organic frameworks using deep dreaming approaches☆19Dec 2, 2025Updated 3 months ago
- ☆12Jun 26, 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
- Python library for the construction of porous materials using topology and building blocks.☆85May 28, 2025Updated 9 months ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆117Jun 20, 2024Updated last year
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆13Aug 26, 2025Updated 6 months ago
- Python interface for the zeo++ package☆17Aug 15, 2025Updated 6 months ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆42Oct 17, 2025Updated 4 months ago