The MOF website for property prediction and community engagement.
☆40Oct 24, 2025Updated 9 months ago
Alternatives and similar repositories for MOFSimplify
Users that are interested in MOFSimplify are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆23Nov 13, 2021Updated 4 years ago
- AiiDA workflows for the LSMO laboratory at EPFL☆12Sep 8, 2023Updated 2 years ago
- ☆33Jul 25, 2025Updated 11 months ago
- Basic sanity checks for MOFs.☆35Jul 6, 2026Updated 2 weeks ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- An ecosystem for digital reticular chemistry☆52Sep 10, 2024Updated last year
- Python library for the construction of porous materials using topology and building blocks.☆92Updated this week
- Mirror of the NIST ISODB API (https://adsorption.nist.gov/isodb)☆17Feb 27, 2026Updated 4 months ago
- Split a MOF into its building blocks.☆25Dec 24, 2022Updated 3 years ago
- MOFSimBench: Evaluating universal machine learning interatomic potentials in metal-organic framework molecular modeling☆44Dec 17, 2025Updated 7 months ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆164Nov 15, 2025Updated 8 months ago
- A framework for using topological data analysis to extract structure/symmetry from scientific systems.☆26Aug 28, 2022Updated 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 …☆12Nov 22, 2024Updated last year
- A workflow to create computation-ready metal-organic framework database.☆41Updated this week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- A molecular simulation package integrating MLFFs in MOFs for DAC☆48Oct 17, 2025Updated 9 months ago
- CoRE-MOF as a Python package☆25Nov 21, 2024Updated last year
- PSA simulation code☆21Jan 27, 2023Updated 3 years ago
- A Reinforcement Framework for Inverse Design of MOFs☆37Aug 7, 2024Updated last year
- Licensed under Academic Non-Commercial Share-Alike License☆19Sep 3, 2025Updated 10 months ago
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆32Jul 28, 2025Updated 11 months ago
- AIM (Adsorption Integrated Modules) is a collection of MATLAB based GUI modules for adsorption isotherm based fixed bed process modelling☆18Updated this week
- Tools to facilitate NLP of scientific literature☆19Nov 29, 2021Updated 4 years ago
- Heat capacity predictor for porous materials☆15Jun 13, 2024Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆13Aug 26, 2025Updated 10 months ago
- Example tools for modeling adsorption processes using the API tools from http://adsorption.nist.gov☆13Apr 29, 2021Updated 5 years ago
- A Python package to run adsorption simulation in nanoporous materials using Machine Learning Potentials and other methods powered by ASE☆20Jul 14, 2026Updated last week
- ☆18Feb 1, 2023Updated 3 years ago
- ☆26Apr 4, 2024Updated 2 years ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆64Jul 2, 2026Updated 3 weeks ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆25Jul 7, 2026Updated 2 weeks ago
- Simulates molecular adsorption and diffusion on nanoporous materials.☆19Apr 28, 2026Updated 2 months ago
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆27Jul 15, 2026Updated last week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆40Dec 16, 2021Updated 4 years ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆123May 23, 2026Updated 2 months ago
- A system for rapid identification and analysis of metal-organic frameworks☆70Dec 7, 2025Updated 7 months ago
- molSimplify code☆227May 27, 2026Updated last month
- Create new MOFs by combining generative AI and simulation on HPC☆29May 30, 2026Updated last month
- This software is a general purpose classical simulation package. Online documentation available at:☆101Updated this week
- ☆33Aug 3, 2021Updated 4 years ago