A workflow to create computation-ready metal-organic framework database.
☆36Oct 9, 2025Updated 7 months ago
Alternatives and similar repositories for CoRE-MOF-Tools
Users that are interested in CoRE-MOF-Tools are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆17Feb 6, 2025Updated last year
- This software is a general purpose classical simulation package. Online documentation available at:☆98May 23, 2026Updated last week
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆32Jul 28, 2025Updated 10 months ago
- ☆25Mar 8, 2023Updated 3 years ago
- Licensed under Academic Non-Commercial Share-Alike License☆19Sep 3, 2025Updated 8 months 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.
- A repository to hold forcefields for molecular mechanics calculations with RASPA☆16Mar 27, 2025Updated last year
- Python library for the construction of porous materials using topology and building blocks.☆86Updated this week
- GPU Monte Carlo Simulation Code with a taste of RASPA☆89May 13, 2026Updated 2 weeks ago
- A julia package for the manipulation of crystal net representations and topology☆56May 1, 2026Updated 3 weeks ago
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆14Aug 26, 2025Updated 9 months 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
- zeo++ fork of the LSMO☆24Dec 19, 2022Updated 3 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 …☆22Nov 13, 2021Updated 4 years ago
- Basic sanity checks for MOFs.☆35Apr 13, 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.
- ☆72Apr 7, 2021Updated 5 years ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆24Apr 9, 2026Updated last month
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 2 years ago
- Classical molecular simulation code☆171Jul 13, 2024Updated last year
- Universal Transfer Learning in Porous Materials, including MOFs.☆121Jun 20, 2024Updated last year
- An ecosystem for digital reticular chemistry☆53Sep 10, 2024Updated last year
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆64May 22, 2026Updated last week
- A system for rapid identification and analysis of metal-organic frameworks☆69Dec 7, 2025Updated 5 months ago
- A collection of tools I created related to the molecular simulations package RASPA.☆12Dec 4, 2023Updated 2 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- A molecular simulation package integrating MLFFs in MOFs for DAC☆47Oct 17, 2025Updated 7 months 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…☆58Apr 1, 2025Updated last year
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆23Updated this week
- predicting charges on MOF atoms via a message passing MOFs☆24Aug 18, 2020Updated 5 years ago
- The MOF website for property prediction and community engagement.☆39Oct 24, 2025Updated 7 months ago
- Chemical Data Science and Engineering - University of Toronto☆23Nov 21, 2025Updated 6 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…☆22Jun 28, 2024Updated last year
- A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks☆15Jul 15, 2020Updated 5 years ago
- ☆32Jul 25, 2025Updated 10 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.
- CoRE-MOF as a Python package☆23Nov 21, 2024Updated last year
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆51Oct 22, 2023Updated 2 years ago
- Generation, analysis and visualization of reticular ornaments using Gavrog.☆38Dec 29, 2023Updated 2 years ago
- ☆39Dec 16, 2021Updated 4 years ago
- ☆42Jan 17, 2025Updated last year
- ☆26Apr 4, 2024Updated 2 years ago
- Software for the text mining of the synthesis method, solvent, topology, organic linker, and metal precursor of metal-organic frameworks.☆22Mar 20, 2022Updated 4 years ago