hspark1212 / MOFTransformerView external linksLinks
Universal Transfer Learning in Porous Materials, including MOFs.
☆115Jun 20, 2024Updated last year
Alternatives and similar repositories for MOFTransformer
Users that are interested in MOFTransformer are comparing it to the libraries listed below
Sorting:
- Python library for the construction of porous materials using topology and building blocks.☆84May 28, 2025Updated 8 months ago
- ☆25Mar 8, 2023Updated 2 years ago
- ☆69Apr 7, 2021Updated 4 years ago
- A collection of tools I created related to the molecular simulations package RASPA.☆12Dec 4, 2023Updated 2 years ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆158Nov 15, 2025Updated 3 months ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆60Sep 10, 2023Updated 2 years ago
- 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
- A workflow to create computation-ready metal-organic framework database.☆31Oct 9, 2025Updated 4 months ago
- Basic sanity checks for MOFs.☆35Jun 17, 2023Updated 2 years ago
- This software is a general purpose classical simulation package. Online documentation available at:☆91Feb 8, 2026Updated last week
- Predict and Inverse design for metal-organic framework with large-language models (llms)☆109May 15, 2025Updated 8 months ago
- zeo++ fork of the LSMO☆23Dec 19, 2022Updated 3 years ago
- A Reinforcement Framework for Inverse Design of MOFs☆34Aug 7, 2024Updated last year
- ☆15Sep 14, 2023Updated 2 years ago
- Modification of RASPA2 code for GC-TMMC simulations☆12Apr 18, 2024Updated last year
- ☆20Nov 19, 2025Updated 2 months ago
- A repository to hold forcefields for molecular mechanics calculations with RASPA☆16Mar 27, 2025Updated 10 months ago
- Large Language Models Material Miner☆51Feb 18, 2025Updated 11 months ago
- The MOF website for property prediction and community engagement.☆38Oct 24, 2025Updated 3 months ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆13Aug 26, 2025Updated 5 months ago
- 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
- An ecosystem for digital reticular chemistry☆52Sep 10, 2024Updated last year
- ☆18Feb 1, 2023Updated 3 years ago
- Simulates molecular adsorption and diffusion on nanoporous materials.☆18Dec 13, 2024Updated last year
- CoRE-MOF as a Python package☆22Nov 21, 2024Updated last year
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆56Dec 29, 2023Updated 2 years ago
- Text mining synthesis information in metal organic framework☆13Aug 25, 2021Updated 4 years ago
- A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks☆14Jul 15, 2020Updated 5 years ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆42Oct 17, 2025Updated 3 months ago
- ☆37Dec 16, 2021Updated 4 years ago
- 适用于多孔材料吸附性质模拟软件——RASPA的脚本工具集合,可用于并行计算等温线、高通量模拟,zeo++参数自动化计算、批量结果分析等。A collection of scripting tools for RASPA, which can be used for para…☆56Apr 1, 2025Updated 10 months ago
- 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
- A system for rapid identification and analysis of metal-organic frameworks☆69Dec 7, 2025Updated 2 months ago
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆29Jul 28, 2025Updated 6 months ago
- Classical molecular simulation code☆159Jul 13, 2024Updated last year
- Heat capacity predictor for porous materials☆14Jun 13, 2024Updated last year
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆61Oct 2, 2025Updated 4 months ago
- GPU Monte Carlo Simulation Code with a taste of RASPA☆79Jan 4, 2026Updated last month