A Qt graphical user interface for pyGAPS. WIP.
☆21Jun 26, 2023Updated 2 years ago
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:
- BET Surface Identification - a program that fully implements the rouquerol criteria☆16Jul 6, 2023Updated 2 years ago
- A universal file format for gas adsorption experiments☆22May 5, 2026Updated 3 weeks ago
- A framework for processing adsorption data and isotherm fitting☆91Mar 19, 2026Updated 2 months ago
- Simulates molecular adsorption and diffusion on nanoporous materials.☆18Apr 28, 2026Updated last month
- Tools for the creation of reaction energy diagrams☆79May 10, 2026Updated 2 weeks 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.
- 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
- Python-based localized-orbital Density Functional Theory code for educational purposes.☆20May 21, 2026Updated last week
- Ideal Adsorbed Solution Theory☆66Jul 11, 2021Updated 4 years ago
- zeo++ fork of the LSMO☆24Dec 19, 2022Updated 3 years ago
- A lightweight script to make vector images of molecules☆20Oct 17, 2025Updated 7 months ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆51Oct 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…☆62Dec 29, 2023Updated 2 years ago
- Classical molecular simulation code☆171Jul 13, 2024Updated last year
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- 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
- Assorted Python Scripts to accompany the gmx analysis tools☆12Jul 16, 2019Updated 6 years ago
- repository for Group-contribution based Graph neural Networks☆18Mar 27, 2026Updated 2 months ago
- Fully validating pure-python CP2K input file tools including preprocessing capabilities☆59Updated this week
- AIM (Adsorption Integrated Modules) is a collection of MATLAB based GUI modules for adsorption isotherm based fixed bed process modelling☆17Nov 14, 2025Updated 6 months ago
- PCB files for the Adafruit TB6612 Motor Driver Breakout☆10Jun 14, 2019Updated 6 years ago
- This software is a general purpose classical simulation package. Online documentation available at:☆98Updated this week
- ☆42Jan 17, 2025Updated last year
- Webpage for the ChemRxiv dashboard☆11Mar 10, 2025Updated last year
- 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.
- Basic sanity checks for MOFs.☆35Apr 13, 2026Updated last month
- Enable chemical informatics functionality in MS Excel spreadsheets☆19Oct 19, 2023Updated 2 years ago
- Awesome list of open source tools that can help simulate, treat understand or disseminate adsorption data.☆32Jun 1, 2023Updated 2 years ago
- Example tools for modeling adsorption processes using the API tools from http://adsorption.nist.gov☆13Apr 29, 2021Updated 5 years ago
- NO LONGER UPDATED. Use the official repository.☆91May 27, 2020Updated 6 years ago
- RunAI&KG prize winner of the 2024 LLM hackathon in materials and chemistry. Create a glossary out of your manuscript in materials and che…☆12Aug 15, 2025Updated 9 months ago
- ⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.☆64Mar 27, 2026Updated 2 months ago
- MarkLogic XCC in Clojure☆15May 28, 2019Updated 7 years ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆64May 22, 2026Updated last week
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Pseudopotential Studio☆21May 6, 2021Updated 5 years ago
- 🗂️ Universal Cross-Platform native s3 Object Storage GUI and FileManager☆30Jan 11, 2026Updated 4 months ago
- Processing code to draw continuous, circle-only paths in various styles with various ornamentations☆12Jan 27, 2017Updated 9 years ago
- A machine learning model based on gradient boosting decision tree for predicting heavy metal adsorption in soil.☆18Nov 6, 2021Updated 4 years ago
- GAMMA C++ and PyGAMMA wrapped code packages☆11Sep 8, 2025Updated 8 months ago
- Batch Calculator for Zeolite synthesis☆11Dec 14, 2024Updated last year
- molecular mechanics optimisation☆18Aug 28, 2023Updated 2 years ago