Python library for the construction of porous materials using topology and building blocks.
☆84May 28, 2025Updated 9 months ago
Alternatives and similar repositories for PORMAKE
Users that are interested in PORMAKE are comparing it to the libraries listed below
Sorting:
- ☆70Apr 7, 2021Updated 4 years ago
- Basic sanity checks for MOFs.☆35Jun 17, 2023Updated 2 years ago
- A julia package for the manipulation of crystal net representations and topology☆52Feb 13, 2026Updated 2 weeks ago
- ☆10Mar 25, 2023Updated 2 years ago
- ☆35Sep 18, 2025Updated 5 months ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆116Jun 20, 2024Updated last year
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- ☆20Nov 19, 2025Updated 3 months ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆159Nov 15, 2025Updated 3 months ago
- A workflow to create computation-ready metal-organic framework database.☆32Oct 9, 2025Updated 4 months ago
- CoRE-MOF as a Python package☆22Nov 21, 2024Updated last year
- ☆18Feb 1, 2023Updated 3 years ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆47Oct 22, 2023Updated 2 years ago
- The MOF website for property prediction and community engagement.☆38Oct 24, 2025Updated 4 months ago
- ☆19Jun 29, 2017Updated 8 years ago
- zeo++ fork of the LSMO☆23Dec 19, 2022Updated 3 years ago
- A Reinforcement Framework for Inverse Design of MOFs☆34Aug 7, 2024Updated last year
- GPU Monte Carlo Simulation Code with a taste of RASPA☆79Jan 4, 2026Updated 2 months ago
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆13Aug 26, 2025Updated 6 months ago
- AiiDA workflows for the LSMO laboratory at EPFL☆11Sep 8, 2023Updated 2 years ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆23Feb 4, 2026Updated last month
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆30Jul 28, 2025Updated 7 months ago
- A system for rapid identification and analysis of metal-organic frameworks☆69Dec 7, 2025Updated 2 months ago
- Text mining synthesis information in metal organic framework☆13Aug 25, 2021Updated 4 years ago
- Charge equilibration method for crystal structures☆17Dec 16, 2022Updated 3 years 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
- Heat capacity predictor for porous materials☆14Jun 13, 2024Updated last year
- ☆68Mar 13, 2024Updated last year
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆21Nov 13, 2021Updated 4 years ago
- A repository to hold forcefields for molecular mechanics calculations with RASPA☆16Mar 27, 2025Updated 11 months ago
- Licensed under Academic Non-Commercial Share-Alike License☆18Sep 3, 2025Updated 6 months ago
- Split a MOF into its building blocks.☆25Dec 24, 2022Updated 3 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 9 months ago
- Create new MOFs by combining generative AI and simulation on HPC☆27Sep 30, 2025Updated 5 months ago
- predicting charges on MOF atoms via a message passing MOFs☆24Aug 18, 2020Updated 5 years ago
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆164May 24, 2023Updated 2 years ago
- High-throughput DFT of MOFs using ASE/VASP☆30May 22, 2023Updated 2 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
- Classical molecular simulation code☆161Jul 13, 2024Updated last year