A Qt graphical user interface for pyGAPS. WIP.
☆22Nov 4, 2026Updated this week
Alternatives and similar repositories for pyGAPS-gui
Users that are interested in pyGAPS-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 universal file format for gas adsorption experiments☆22Oct 21, 2026Updated 2 weeks ago
- ☆43Jan 17, 2025Updated last year
- BET Surface Identification - a program that fully implements the rouquerol criteria☆17Jul 6, 2023Updated 3 years ago
- Ideal Adsorbed Solution Theory☆67Jul 11, 2021Updated 5 years ago
- Simulates molecular adsorption and diffusion on nanoporous materials.☆19Apr 28, 2026Updated 6 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- python package to plot reaction profiles☆12Jul 14, 2026Updated 3 months ago
- zeo++ fork of the LSMO☆24Dec 19, 2022Updated 3 years ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆67Aug 11, 2026Updated 2 months ago
- AIM (Adsorption Integrated Modules) is a collection of MATLAB based GUI modules for adsorption isotherm based fixed bed process modelling☆22Sep 17, 2026Updated last month
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆66Dec 29, 2023Updated 2 years ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆56Oct 22, 2023Updated 3 years ago
- Modification of RASPA2 code for GC-TMMC simulations☆14Apr 18, 2024Updated 2 years ago
- A fast solid-state NMR spectrum simulation and analysis library.☆48Updated this week
- 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
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Materials for the "Introduction to Computational Chemistry Techniques" course at the University of Edinburgh☆16Jan 20, 2026Updated 9 months ago
- Classical molecular simulation code☆183Jul 13, 2024Updated 2 years ago
- PSA simulation code☆23Jan 27, 2023Updated 3 years ago
- Heat capacity predictor for porous materials☆16Jun 13, 2024Updated 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 …☆18Feb 21, 2024Updated 2 years ago
- 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
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- NO LONGER UPDATED. Use the official repository.☆91May 27, 2020Updated 6 years ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆170Nov 15, 2025Updated 11 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- This GitHub repository contains additional information supporting published manuscripts☆21Sep 9, 2024Updated 2 years ago
- Webpage for the ChemRxiv dashboard☆12Mar 10, 2025Updated last year
- DynEMol: tools for studying Excited State Dynamics of Electrons in Molecules☆11Oct 10, 2026Updated 3 weeks ago
- Design of metal-organic frameworks using deep dreaming approaches☆21Dec 2, 2025Updated 11 months ago
- ☆73Apr 7, 2021Updated 5 years ago
- Library to dock molecules in crystal structures, including nanoporous materials☆15Sep 14, 2026Updated last month
- ☆27Apr 4, 2024Updated 2 years ago
- The App Store for VMD extensions.☆15Jan 14, 2023Updated 3 years ago
- ☆79Mar 13, 2024Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- A wrapper to run xtb inside Gaussian.☆30Aug 18, 2020Updated 6 years ago
- Example tools for modeling adsorption processes using the API tools from http://adsorption.nist.gov☆13Apr 29, 2021Updated 5 years ago
- Awesome list of open source tools that can help simulate, treat understand or disseminate adsorption data.☆30Jun 1, 2023Updated 3 years ago
- AutoFP is an auto tools for FullProf Rietveld refinement with expert system algorithm !☆40Jun 28, 2026Updated 4 months ago
- A machine learning model based on gradient boosting decision tree for predicting heavy metal adsorption in soil.☆19Nov 6, 2021Updated 4 years ago
- 将来自知网主站、知网空间、知网编客、知网百科、知网阅读、知网文化、知网法律、知网医院数字图书馆、手机知网等站点的知网文献页重定向至知网主站`kns.cnki.net`,支持获取知网文献无追踪链接☆13Jan 20, 2024Updated 2 years ago
- Circuit boards designed by Jeremy Cook☆13Mar 4, 2026Updated 8 months ago