Chung-Research-Group / AIMLinks
AIM (Adsorption Integrated Modules) is a collection of MATLAB based GUI modules for adsorption isotherm based fixed bed process modelling
☆15Updated 2 months ago
Alternatives and similar repositories for AIM
Users that are interested in AIM are comparing it to the libraries listed below
Sorting:
- Modification of RASPA2 code for GC-TMMC simulations☆12Updated last year
- Simulation data, analysis notebook, and codes to reproduce our work☆11Updated 3 months ago
- Simulates molecular adsorption and diffusion on nanoporous materials.☆18Updated 11 months ago
- Heat capacity predictor for porous materials☆12Updated last year
- A collection of tools I created related to the molecular simulations package RASPA.☆12Updated last year
- A repository to hold forcefields for molecular mechanics calculations with RASPA☆16Updated 7 months ago
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆26Updated 3 months ago
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆13Updated 2 months ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆54Updated last year
- zeo++ fork of the LSMO☆20Updated 2 years ago
- ☆39Updated 9 months ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆44Updated 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 …☆17Updated last year
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆40Updated last week
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆59Updated 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 …☆12Updated 11 months ago
- ☆69Updated 2 years ago
- This software is a general purpose classical simulation package. Online documentation available at:☆78Updated this week
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆37Updated 8 months ago
- ☆31Updated last month
- ☆48Updated 2 weeks ago
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆28Updated last week
- Charge equilibration method for crystal structures☆14Updated 2 years ago
- A Python library to apply the Marginal Standard Error Rule (MSER) for transient regime detection and truncation on Grand Canonical Monte …☆28Updated 6 months ago
- Basic sanity checks for MOFs.☆32Updated 2 years ago
- ☆65Updated 4 years ago
- Automated creation and manipulation of Chemical Reaction Networks (CRNs) in heterogeneous catalysis, allowing the evaluation of species a…☆36Updated this week
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆12Updated 2 years ago
- ☆70Updated 6 months ago
- GPU Monte Carlo Simulation Code with a taste of RASPA☆72Updated last week