hjkgrp / MOFSimplifyLinks
The MOF website for property prediction and community engagement.
☆38Updated 2 months ago
Alternatives and similar repositories for MOFSimplify
Users that are interested in MOFSimplify are comparing it to the libraries listed below
Sorting:
- A system for rapid identification and analysis of metal-organic frameworks☆66Updated 3 weeks ago
- Basic sanity checks for MOFs.☆34Updated 2 years ago
- ☆35Updated 3 years ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆44Updated 2 years ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆23Updated 8 months ago
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆28Updated last year
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆59Updated 2 months ago
- An ecosystem for digital reticular chemistry☆52Updated last year
- Object-oriented refactoring of the YARP package☆25Updated last month
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆32Updated last year
- ☆25Updated 2 years ago
- ☆19Updated 8 years ago
- Python package to interact with high-dimensional representations of the chemical elements☆47Updated last week
- Charge equilibration method for crystal structures☆15Updated 3 years ago
- ☆20Updated last month
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆14Updated 10 months ago
- Python library for the construction of porous materials using topology and building blocks.☆80Updated 7 months ago
- Mirror of http://zeoplusplus.org/☆12Updated 7 years ago
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆28Updated 5 months ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- A Reinforcement Framework for Inverse Design of MOFs☆34Updated last year
- ☆66Updated 4 years ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆41Updated 2 months ago
- ☆54Updated 2 months ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆114Updated 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 …☆21Updated 4 years ago
- Code for automated fitting of machine learned interatomic potentials.☆133Updated 2 weeks ago
- ☆24Updated last year
- AiiDA workflows for the LSMO laboratory at EPFL☆10Updated 2 years ago
- ☆49Updated 3 years ago