A framework for processing adsorption data and isotherm fitting
☆91Mar 19, 2026Updated 4 months ago
Alternatives and similar repositories for pyGAPS
Users that are interested in pyGAPS are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Ideal Adsorbed Solution Theory☆66Jul 11, 2021Updated 5 years ago
- Example tools for modeling adsorption processes using the API tools from http://adsorption.nist.gov☆13Apr 29, 2021Updated 5 years ago
- Simulates molecular adsorption and diffusion on nanoporous materials.☆19Apr 28, 2026Updated 3 months ago
- A universal file format for gas adsorption experiments☆22Updated this week
- A Python package for adsorption processes☆32Jan 30, 2026Updated 6 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 Qt graphical user interface for pyGAPS. WIP.☆21Jun 26, 2023Updated 3 years ago
- Awesome list of open source tools that can help simulate, treat understand or disseminate adsorption data.☆32Jun 1, 2023Updated 3 years ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆22Jun 21, 2023Updated 3 years ago
- PSA simulation code☆21Jan 27, 2023Updated 3 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
- predicting charges on MOF atoms via a message passing MOFs☆24Aug 18, 2020Updated 6 years ago
- ☆43Jan 17, 2025Updated last year
- Python-based localized-orbital Density Functional Theory code for educational purposes.☆22Jul 12, 2026Updated last month
- BET Surface Identification - a program that fully implements the rouquerol criteria☆16Jul 6, 2023Updated 3 years 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.
- zeo++ fork of the LSMO☆24Dec 19, 2022Updated 3 years ago
- This software is a general purpose classical simulation package. Online documentation available at:☆102Aug 3, 2026Updated 2 weeks ago
- A collection of tools I created related to the molecular simulations package RASPA.☆12Dec 4, 2023Updated 2 years ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆164Nov 15, 2025Updated 9 months 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
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆54Oct 22, 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
- A Python package to run adsorption simulation in nanoporous materials using Machine Learning Potentials and other methods powered by ASE☆21Updated this week
- A repository to hold forcefields for molecular mechanics calculations with RASPA☆19Mar 27, 2025Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Python library for generation of MOFs, COFs, Zeolites...☆39Aug 5, 2026Updated last week
- A machine learning model based on gradient boosting decision tree for predicting heavy metal adsorption in soil.☆18Nov 6, 2021Updated 4 years ago
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆170May 24, 2023Updated 3 years ago
- Classical molecular simulation code☆175Jul 13, 2024Updated 2 years ago
- ☆72Apr 7, 2021Updated 5 years ago
- GPU Monte Carlo Simulation Code with a taste of RASPA☆98Updated this week
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆27Oct 4, 2024Updated last year
- Modification of RASPA2 code for GC-TMMC simulations☆13Apr 18, 2024Updated 2 years ago
- ☆25Mar 8, 2023Updated 3 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- Encoding chemistry to interpret crystallographic data☆30Updated this week
- python functions to calculate l-curve parameter☆12Feb 10, 2020Updated 6 years ago
- iRASPA for linux☆37Updated this week
- A workflow to create computation-ready metal-organic framework database.☆42Updated this week
- Charge equilibration method for crystal structures☆17Dec 16, 2022Updated 3 years ago
- Licensed under Academic Non-Commercial Share-Alike License☆19Sep 3, 2025Updated 11 months ago