BET Surface Identification - a program that fully implements the rouquerol criteria
☆16Jul 6, 2023Updated 2 years ago
Alternatives and similar repositories for betsi-gui
Users that are interested in betsi-gui are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- PSA simulation code☆21Jan 27, 2023Updated 3 years ago
- A Python library to apply the Marginal Standard Error Rule (MSER) for transient regime detection and truncation on Grand Canonical Monte …☆29May 8, 2025Updated 11 months ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆21Jun 21, 2023Updated 2 years ago
- zeo++ fork of the LSMO☆24Dec 19, 2022Updated 3 years ago
- Simulates molecular adsorption and diffusion on nanoporous materials.☆18Dec 13, 2024Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- A universal file format for gas adsorption experiments☆22Updated this week
- Charge equilibration method for crystal structures☆18Dec 16, 2022Updated 3 years ago
- Python-based localized-orbital Density Functional Theory code for educational purposes.☆20Mar 8, 2026Updated last month
- A Qt graphical user interface for pyGAPS. WIP.☆21Jun 26, 2023Updated 2 years ago
- ☆32Jul 25, 2025Updated 8 months ago
- AIM (Adsorption Integrated Modules) is a collection of MATLAB based GUI modules for adsorption isotherm based fixed bed process modelling☆17Nov 14, 2025Updated 5 months ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 2 years ago
- Tools for the creation of reaction energy diagrams☆65Updated this week
- A collection of tools I created related to the molecular simulations package RASPA.☆12Dec 4, 2023Updated 2 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆59Dec 29, 2023Updated 2 years ago
- ☆41Jan 17, 2025Updated last year
- 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
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆17Feb 6, 2025Updated last year
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆13Aug 26, 2025Updated 7 months ago
- A repository to hold forcefields for molecular mechanics calculations with RASPA☆17Mar 27, 2025Updated last year
- GPU Monte Carlo Simulation Code with a taste of RASPA☆81Updated this week
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆50Oct 22, 2023Updated 2 years ago
- This software is a general purpose classical simulation package. Online documentation available at:☆94Updated this week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- 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
- 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 last year
- A framework for processing adsorption data and isotherm fitting☆88Mar 19, 2026Updated last month
- A system for rapid identification and analysis of metal-organic frameworks☆68Dec 7, 2025Updated 4 months ago
- ☆68Mar 13, 2024Updated 2 years ago
- CoRE-MOF as a Python package☆22Nov 21, 2024Updated last year
- Awesome list of open source tools that can help simulate, treat understand or disseminate adsorption data.☆32Jun 1, 2023Updated 2 years ago
- AiiDA plugin for Gaussian quantum chemistry software☆12Feb 21, 2026Updated last month
- Lennard Jones in Lean☆22Jul 14, 2025Updated 9 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Dashboard to explore CoRE MOF database☆13Jul 5, 2020Updated 5 years ago
- Automated calculation of cavity in molecular cages☆25Dec 7, 2025Updated 4 months ago
- A python package for classical Density Functional Theory (cDFT). This package allows you to find the equilibrium density profile of an in…☆28Jan 5, 2022Updated 4 years ago
- Computational chemistry software tutorials☆27Jan 15, 2019Updated 7 years ago
- Material for Data Driven Process Systems Engineering Course☆13Apr 27, 2023Updated 2 years ago
- Python interface for the zeo++ package☆18Aug 15, 2025Updated 8 months ago
- Basic sanity checks for MOFs.☆35Updated this week