☆43Jan 17, 2025Updated last year
Alternatives and similar repositories for RUPTURA
Users that are interested in RUPTURA are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Awesome list of open source tools that can help simulate, treat understand or disseminate adsorption data.☆30Jun 1, 2023Updated 3 years ago
- Ideal Adsorbed Solution Theory☆66Jul 11, 2021Updated 5 years ago
- This software is a general purpose classical simulation package. Online documentation available at:☆102Updated this week
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 3 years ago
- PSA simulation code☆21Jan 27, 2023Updated 3 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 universal file format for gas adsorption experiments☆22Updated this week
- Modification of RASPA2 code for GC-TMMC simulations☆13Apr 18, 2024Updated 2 years ago
- A collection of tools I created related to the molecular simulations package RASPA.☆12Dec 4, 2023Updated 2 years ago
- A repository to hold forcefields for molecular mechanics calculations with RASPA☆19Mar 27, 2025Updated last year
- A workflow to create computation-ready metal-organic framework database.☆42Aug 14, 2026Updated 2 weeks ago
- zeo++ fork of the LSMO☆24Dec 19, 2022Updated 3 years ago
- AiiDA workflows for the LSMO laboratory at EPFL☆12Sep 8, 2023Updated 2 years ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆17Jul 6, 2023Updated 3 years ago
- ☆18Feb 1, 2023Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Simulates molecular adsorption and diffusion on nanoporous materials.☆19Apr 28, 2026Updated 4 months ago
- ☆72Apr 7, 2021Updated 5 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
- GPU Monte Carlo Simulation Code with a taste of RASPA☆100Aug 17, 2026Updated last week
- 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
- predicting charges on MOF atoms via a message passing MOFs☆24Aug 18, 2020Updated 6 years ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆55Oct 22, 2023Updated 2 years ago
- A Qt graphical user interface for pyGAPS. WIP.☆21Jun 26, 2023Updated 3 years ago
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆34Jul 28, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- AIM (Adsorption Integrated Modules) is a collection of MATLAB based GUI modules for adsorption isotherm based fixed bed process modelling☆20Jul 19, 2026Updated last month
- ☆25Mar 8, 2023Updated 3 years ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- ☆19Jun 29, 2017Updated 9 years ago
- Basic sanity checks for MOFs.☆34Jul 6, 2026Updated last month
- Licensed under Academic Non-Commercial Share-Alike License☆19Sep 3, 2025Updated 11 months 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
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆164Nov 15, 2025Updated 9 months ago
- Text mining synthesis information in metal organic framework☆13Aug 25, 2021Updated 5 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Totally Open Pressure Swing Adsorption Intensification Laboratory☆20Nov 2, 2025Updated 9 months ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆48Oct 17, 2025Updated 10 months ago
- ☆74Mar 13, 2024Updated 2 years ago
- A framework for processing adsorption data and isotherm fitting☆91Mar 19, 2026Updated 5 months ago
- ☆34Jul 25, 2025Updated last year
- 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
- A Python package to run adsorption simulation in nanoporous materials using Machine Learning Potentials and other methods powered by ASE☆21Updated this week