lsmo-epfl / aiida-lsmoView external linksLinks
AiiDA workflows for the LSMO laboratory at EPFL
☆10Sep 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
Sorting:
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 2 years ago
- Charge equilibration method for crystal structures☆17Dec 16, 2022Updated 3 years ago
- ☆18Feb 1, 2023Updated 3 years ago
- Basic sanity checks for MOFs.☆35Jun 17, 2023Updated 2 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
- Design of metal-organic frameworks using deep dreaming approaches☆19Dec 2, 2025Updated 2 months ago
- Licensed under Academic Non-Commercial Share-Alike License☆18Sep 3, 2025Updated 5 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
- Heat capacity predictor for porous materials☆14Jun 13, 2024Updated last year
- ☆15Sep 14, 2023Updated 2 years ago
- open data sets for machine learning pertaining to porous materials☆27Nov 28, 2023Updated 2 years ago
- ☆36Mar 4, 2024Updated last year
- AiiDA tutorials web site☆24Oct 2, 2025Updated 4 months 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 week
- ☆20Nov 19, 2025Updated 2 months ago
- ☆41Jan 17, 2025Updated last year
- The MOF website for property prediction and community engagement.☆38Oct 24, 2025Updated 3 months ago
- Python library for the construction of porous materials using topology and building blocks.☆84May 28, 2025Updated 8 months ago
- ☆35Sep 18, 2025Updated 4 months ago
- CoRE-MOF as a Python package☆22Nov 21, 2024Updated last year
- Ideal Adsorbed Solution Theory☆61Jul 11, 2021Updated 4 years ago
- Encoding chemistry to interpret crystallographic data☆28Feb 4, 2026Updated last week
- ☆10Mar 25, 2023Updated 2 years ago
- Modification of RASPA2 code for GC-TMMC simulations☆12Apr 18, 2024Updated last year
- A julia package for the manipulation of crystal net representations and topology☆52Updated this week
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- Molecular Crystal Representation from Transformer☆15Dec 19, 2024Updated last year
- 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
- ☆32Jul 25, 2025Updated 6 months ago
- The CP2K plugin for the AiiDA workflow and provenance engine.☆25Jan 5, 2026Updated last month
- A molecular simulation package integrating MLFFs in MOFs for DAC☆42Oct 17, 2025Updated 4 months ago
- ☆31Aug 3, 2021Updated 4 years ago
- Deep learning model for predicting adsorption isotherms of MOFs☆16Oct 5, 2022Updated 3 years ago
- Mirror of the NIST ISODB API (https://adsorption.nist.gov/isodb)☆16Jan 22, 2026Updated 3 weeks ago
- Poreblazer is a set of Fortran 90 tools for structural characterization of porous materials.☆13Feb 28, 2018Updated 7 years ago
- Text-based modeling of materials.☆34Updated this week
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆20Jun 28, 2024Updated last year
- ☆69Apr 7, 2021Updated 4 years ago