AiiDA workflows for the LSMO laboratory at EPFL
☆12Sep 8, 2023Updated 2 years ago
Alternatives and similar repositories for aiida-lsmo
Users that are interested in aiida-lsmo are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 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.☆34Jul 6, 2026Updated last month
- Licensed under Academic Non-Commercial Share-Alike License☆19Sep 3, 2025Updated 11 months ago
- Text mining synthesis information in metal organic framework☆13Aug 25, 2021Updated 4 years ago
- ☆18Feb 1, 2023Updated 3 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆15Jul 22, 2026Updated 3 weeks 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
- Poreblazer is a set of Fortran 90 tools for structural characterization of porous materials.☆13Feb 28, 2018Updated 8 years ago
- A Python package to run adsorption simulation in nanoporous materials using Machine Learning Potentials and other methods powered by ASE☆21Updated this week
- Charge equilibration method for crystal structures☆17Dec 16, 2022Updated 3 years ago
- ☆34Jul 25, 2025Updated last year
- AIM (Adsorption Integrated Modules) is a collection of MATLAB based GUI modules for adsorption isotherm based fixed bed process modelling☆20Jul 19, 2026Updated 3 weeks ago
- The MOF website for property prediction and community engagement.☆42Oct 24, 2025Updated 9 months ago
- ☆37Mar 4, 2024Updated 2 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Python library for the construction of porous materials using topology and building blocks.☆91Aug 9, 2026Updated last week
- CoRE-MOF as a Python package☆25Nov 21, 2024Updated last year
- Deep learning model for predicting adsorption isotherms of MOFs☆18Oct 5, 2022Updated 3 years ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆48Oct 17, 2025Updated 10 months ago
- Simulates molecular adsorption and diffusion on nanoporous materials.☆19Apr 28, 2026Updated 3 months ago
- Ideal Adsorbed Solution Theory☆66Jul 11, 2021Updated 5 years ago
- Heat capacity predictor for porous materials☆15Jun 13, 2024Updated 2 years ago
- predicting charges on MOF atoms via a message passing MOFs☆24Aug 18, 2020Updated 6 years ago
- ☆20Nov 19, 2025Updated 8 months ago
- 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.
- ☆43Jan 17, 2025Updated last year
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- PSA simulation code☆21Jan 27, 2023Updated 3 years ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆54Oct 22, 2023Updated 2 years ago
- open data sets for machine learning pertaining to porous materials☆28Nov 28, 2023Updated 2 years ago
- A workflow to create computation-ready metal-organic framework database.☆42Updated this week
- ☆37Sep 18, 2025Updated 11 months ago
- A Python library to apply the Marginal Standard Error Rule (MSER) for transient regime detection and truncation on Grand Canonical Monte …☆30May 8, 2025Updated last year
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆28Jul 15, 2026Updated last month
- 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.
- Mirror of the NIST ISODB API (https://adsorption.nist.gov/isodb)☆17Feb 27, 2026Updated 5 months ago
- ☆19Jun 29, 2017Updated 9 years ago
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆22Jun 28, 2024Updated 2 years ago
- A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks☆15Jul 15, 2020Updated 6 years ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆25Aug 3, 2026Updated 2 weeks ago
- Design of metal-organic frameworks using deep dreaming approaches☆21Dec 2, 2025Updated 8 months ago
- Modification of RASPA2 code for GC-TMMC simulations☆13Apr 18, 2024Updated 2 years ago