BET Surface Identification - a program that fully implements the rouquerol criteria
☆16Jul 6, 2023Updated 3 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:
- A Python library to apply the Marginal Standard Error Rule (MSER) for transient regime detection and truncation on Grand Canonical Monte …☆30May 8, 2025Updated last year
- BET Surface Identification - a program that fully implements the rouquerol criteria☆22Jun 21, 2023Updated 3 years ago
- Simulates molecular adsorption and diffusion on nanoporous materials.☆19Apr 28, 2026Updated 3 months ago
- PSA simulation code☆21Jan 27, 2023Updated 3 years ago
- A universal file format for gas adsorption experiments☆22Updated this week
- 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.
- zeo++ fork of the LSMO☆24Dec 19, 2022Updated 3 years ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- Python-based localized-orbital Density Functional Theory code for educational purposes.☆21Jul 12, 2026Updated 2 weeks ago
- A Qt graphical user interface for pyGAPS. WIP.☆21Jun 26, 2023Updated 3 years ago
- Charge equilibration method for crystal structures☆17Dec 16, 2022Updated 3 years ago
- Materials for the "Introduction to Computational Chemistry Techniques" course at the University of Edinburgh☆15Jan 20, 2026Updated 6 months ago
- ☆43Jan 17, 2025Updated last year
- ☆33Jul 25, 2025Updated last year
- A Python package to run adsorption simulation in nanoporous materials using Machine Learning Potentials and other methods powered by ASE☆20Updated this week
- 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.
- AIM (Adsorption Integrated Modules) is a collection of MATLAB based GUI modules for adsorption isotherm based fixed bed process modelling☆18Jul 19, 2026Updated last week
- Licensed under Academic Non-Commercial Share-Alike License☆19Sep 3, 2025Updated 10 months ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 2 years ago
- A collection of tools I created related to the molecular simulations package RASPA.☆12Dec 4, 2023Updated 2 years ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆63Dec 29, 2023Updated 2 years 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
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆13Aug 26, 2025Updated 11 months ago
- A repository to hold forcefields for molecular mechanics calculations with RASPA☆19Mar 27, 2025Updated last year
- ☆72Mar 13, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A simple molecular dynamics code for a Lennard-Jones system written in Python☆22Mar 19, 2026Updated 4 months ago
- Python interface for the zeo++ package☆18Jun 25, 2026Updated last month
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆23Nov 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…☆58Apr 1, 2025Updated last year
- A framework for processing adsorption data and isotherm fitting☆91Mar 19, 2026Updated 4 months ago
- A tool collection of the Computational Materials Chemistry group at the Ruhr-University Bochum☆16Jan 28, 2026Updated 6 months ago
- A system for rapid identification and analysis of metal-organic frameworks☆70Dec 7, 2025Updated 7 months ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆48Oct 17, 2025Updated 9 months ago
- Awesome list of open source tools that can help simulate, treat understand or disseminate adsorption data.☆32Jun 1, 2023Updated 3 years 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.
- GPU Monte Carlo Simulation Code with a taste of RASPA☆95Jun 28, 2026Updated last month
- Material for Data Driven Process Systems Engineering Course☆13Apr 27, 2023Updated 3 years ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆54Oct 22, 2023Updated 2 years ago
- This software is a general purpose classical simulation package. Online documentation available at:☆102Updated this week
- AiiDA plugin for Gaussian quantum chemistry software☆12Feb 21, 2026Updated 5 months ago
- Computational chemistry software tutorials☆27Jan 15, 2019Updated 7 years ago
- Dashboard to explore CoRE MOF database☆13Jul 5, 2020Updated 6 years ago