The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.
☆161Nov 15, 2025Updated 4 months ago
Alternatives and similar repositories for QMOF
Users that are interested in QMOF are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A julia package for the manipulation of crystal net representations and topology☆56Apr 2, 2026Updated last week
- Python library for the construction of porous materials using topology and building blocks.☆83May 28, 2025Updated 10 months ago
- Basic sanity checks for MOFs.☆35Jun 17, 2023Updated 2 years ago
- zeo++ fork of the LSMO☆23Dec 19, 2022Updated 3 years ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆63Oct 2, 2025Updated 6 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Split a MOF into its building blocks.☆25Dec 24, 2022Updated 3 years ago
- predicting charges on MOF atoms via a message passing MOFs☆24Aug 18, 2020Updated 5 years ago
- An ecosystem for digital reticular chemistry☆52Sep 10, 2024Updated last year
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆49Oct 22, 2023Updated 2 years ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆119Jun 20, 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
- High-throughput DFT of MOFs using ASE/VASP☆31May 22, 2023Updated 2 years ago
- Classical molecular simulation code☆164Jul 13, 2024Updated last year
- ☆19Jun 29, 2017Updated 8 years ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- The MOF website for property prediction and community engagement.☆39Oct 24, 2025Updated 5 months ago
- Simulates molecular adsorption and diffusion on nanoporous materials.☆18Dec 13, 2024Updated last year
- A Reinforcement Framework for Inverse Design of MOFs☆34Aug 7, 2024Updated last year
- Text mining synthesis information in metal organic framework☆13Aug 25, 2021Updated 4 years ago
- A system for rapid identification and analysis of metal-organic frameworks☆68Dec 7, 2025Updated 4 months ago
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆30Jul 28, 2025Updated 8 months ago
- Heat capacity predictor for porous materials☆14Jun 13, 2024Updated last year
- A collection of tools I created related to the molecular simulations package RASPA.☆12Dec 4, 2023Updated 2 years ago
- CoRE-MOF as a Python package☆22Nov 21, 2024Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- MatDeepLearn, package for graph neural networks in materials chemistry☆204Mar 20, 2023Updated 3 years ago
- Licensed under Academic Non-Commercial Share-Alike License☆19Sep 3, 2025Updated 7 months ago
- This software is a general purpose classical simulation package. Online documentation available at:☆93Apr 4, 2026Updated last week
- Charge equilibration method for crystal structures☆18Dec 16, 2022Updated 3 years ago
- quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.☆256Mar 31, 2026Updated last week
- ☆71Apr 7, 2021Updated 5 years ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆17Feb 6, 2025Updated last year
- molSimplify code☆221Mar 13, 2026Updated 3 weeks ago
- Design of metal-organic frameworks using deep dreaming approaches☆20Dec 2, 2025Updated 4 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- PSA simulation code☆21Jan 27, 2023Updated 3 years ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆24Updated this week
- Ideal Adsorbed Solution Theory☆63Jul 11, 2021Updated 4 years ago
- Matbench: Benchmarks for materials science property prediction☆192Aug 20, 2024Updated last year
- A Python library to apply the Marginal Standard Error Rule (MSER) for transient regime detection and truncation on Grand Canonical Monte …☆29May 8, 2025Updated 11 months ago
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆166May 24, 2023Updated 2 years ago
- ☆25Mar 8, 2023Updated 3 years ago