☆69Mar 13, 2024Updated 2 years ago
Alternatives and similar repositories for CoRE-COF-Database
Users that are interested in CoRE-COF-Database are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆49Oct 22, 2023Updated 2 years ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆63Oct 2, 2025Updated 5 months ago
- Python library for the construction of porous materials using topology and building blocks.☆85May 28, 2025Updated 9 months ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 2 years ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆32Jul 25, 2025Updated 8 months ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆160Nov 15, 2025Updated 4 months ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆16Jul 6, 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
- ☆71Apr 7, 2021Updated 4 years ago
- MOFSimBench: Evaluating universal machine learning interatomic potentials in metal-organic framework molecular modeling☆37Dec 17, 2025Updated 3 months ago
- For the conversion of crystal systems (as cifs) to LAMMPS inputs☆27Sep 13, 2021Updated 4 years ago
- working with crystal structures☆21Jun 28, 2024Updated last year
- BET Surface Identification - a program that fully implements the rouquerol criteria☆21Jun 21, 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.
- predicting charges on MOF atoms via a message passing MOFs☆24Aug 18, 2020Updated 5 years ago
- Basic sanity checks for MOFs.☆35Jun 17, 2023Updated 2 years ago
- A workflow to create computation-ready metal-organic framework database.☆32Oct 9, 2025Updated 5 months ago
- Simulates molecular adsorption and diffusion on nanoporous materials.☆18Dec 13, 2024Updated last year
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆30Jul 28, 2025Updated 7 months ago
- Dashboard to explore CoRE MOF database☆13Jul 5, 2020Updated 5 years ago
- The MOF website for property prediction and community engagement.☆38Oct 24, 2025Updated 5 months ago
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- Yaff is yet another force-field code☆38Oct 6, 2022Updated 3 years ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- This software is a general purpose classical simulation package. Online documentation available at:☆92Updated this week
- ☆78Apr 16, 2025Updated 11 months ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆58Dec 29, 2023Updated 2 years ago
- A universal file format for gas adsorption experiments☆22Mar 16, 2026Updated last week
- ☆24Apr 4, 2024Updated last year
- zeo++ fork of the LSMO☆23Dec 19, 2022Updated 3 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 11 months ago
- Zeolite Simulation Environment☆24Oct 14, 2025Updated 5 months ago
- A Vim/Neovim syntax plugin for VASP's input files☆13Apr 23, 2025Updated 11 months ago
- NordVPN Threat Protection Pro™ • AdTake your cybersecurity to the next level. Block phishing, malware, trackers, and ads. Lightweight app that works with all browsers.
- A julia package for the manipulation of crystal net representations and topology☆53Updated this week
- open data sets for machine learning pertaining to porous materials☆28Nov 28, 2023Updated 2 years ago
- Split a MOF into its building blocks.☆25Dec 24, 2022Updated 3 years ago
- ChatGPT Chemistry Assistant☆88Aug 7, 2023Updated 2 years ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆119Jun 20, 2024Updated last year
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆166May 24, 2023Updated 2 years ago
- A Python library to apply the Marginal Standard Error Rule (MSER) for transient regime detection and truncation on Grand Canonical Monte …☆28May 8, 2025Updated 10 months ago