Simulates molecular adsorption and diffusion on nanoporous materials.
☆18Apr 28, 2026Updated last week
Alternatives and similar repositories for nanopore-adsorption-experiment
Users that are interested in nanopore-adsorption-experiment 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
- Charge equilibration method for crystal structures☆18Dec 16, 2022Updated 3 years ago
- CoRE-MOF as a Python package☆23Nov 21, 2024Updated last year
- A collection of tools I created related to the molecular simulations package RASPA.☆12Dec 4, 2023Updated 2 years ago
- zeo++ fork of the LSMO☆24Dec 19, 2022Updated 3 years ago
- 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.
- BET Surface Identification - a program that fully implements the rouquerol criteria☆16Jul 6, 2023Updated 2 years ago
- Licensed under Academic Non-Commercial Share-Alike License☆19Sep 3, 2025Updated 8 months ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆17Feb 6, 2025Updated last year
- ☆32Jul 25, 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 …☆29May 8, 2025Updated last year
- This software is a general purpose classical simulation package. Online documentation available at:☆98Updated this week
- Basic sanity checks for MOFs.☆35Apr 13, 2026Updated 3 weeks ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆21Jun 21, 2023Updated 2 years ago
- Text mining synthesis information in metal organic framework☆13Aug 25, 2021Updated 4 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.
- A framework for processing adsorption data and isotherm fitting☆89Mar 19, 2026Updated last month
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆17Feb 21, 2024Updated 2 years ago
- Poreblazer is a set of Fortran 90 tools for structural characterization of porous materials.☆13Feb 28, 2018Updated 8 years ago
- AiiDA workflows for the LSMO laboratory at EPFL☆12Sep 8, 2023Updated 2 years ago
- ☆25Mar 8, 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
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆62Dec 29, 2023Updated 2 years ago
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆31Jul 28, 2025Updated 9 months ago
- Awesome list of open source tools that can help simulate, treat understand or disseminate adsorption data.☆32Jun 1, 2023Updated 2 years 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 graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆14Aug 26, 2025Updated 8 months ago
- iRASPA for linux and windows☆37Aug 27, 2024Updated last year
- Python-based localized-orbital Density Functional Theory code for educational purposes.☆20Mar 8, 2026Updated 2 months ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆50Oct 22, 2023Updated 2 years ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆64Apr 30, 2026Updated last week
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆22Nov 13, 2021Updated 4 years ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆161Nov 15, 2025Updated 5 months ago
- ☆39Dec 16, 2021Updated 4 years ago
- GPU Monte Carlo Simulation Code with a taste of RASPA☆87Updated this week
- 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.
- ☆18Feb 1, 2023Updated 3 years ago
- ☆42Jan 17, 2025Updated last year
- A Python package for adsorption processes☆34Jan 30, 2026Updated 3 months ago
- A Qt graphical user interface for pyGAPS. WIP.☆21Jun 26, 2023Updated 2 years ago
- Deep learning model for predicting adsorption isotherms of MOFs☆16Oct 5, 2022Updated 3 years ago
- Tools for the creation of reaction energy diagrams☆75Updated this week
- 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