Awesome list of open source tools that can help simulate, treat understand or disseminate adsorption data.
☆30Jun 1, 2023Updated 3 years ago
Alternatives and similar repositories for awesome-adsorption
Users that are interested in awesome-adsorption are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A Python package for adsorption processes☆31Jan 30, 2026Updated 8 months ago
- ☆43Jan 17, 2025Updated last year
- Example tools for modeling adsorption processes using the API tools from http://adsorption.nist.gov☆13Apr 29, 2021Updated 5 years ago
- A framework for processing adsorption data and isotherm fitting☆92Oct 21, 2026Updated last week
- Simulates molecular adsorption and diffusion on nanoporous materials.☆19Apr 28, 2026Updated 6 months ago
- 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.
- PSA simulation code☆22Jan 27, 2023Updated 3 years ago
- A universal file format for gas adsorption experiments☆22Oct 21, 2026Updated last week
- Modification of RASPA2 code for GC-TMMC simulations☆14Apr 18, 2024Updated 2 years ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 3 years ago
- A Python package for performing Widom insertion simulations to calculate gas adsorption properties in porous materials☆19Sep 22, 2025Updated last year
- Zeolite Simulation Environment☆25Jul 7, 2026Updated 3 months ago
- Mirror of the NIST ISODB API (https://adsorption.nist.gov/isodb)☆17Sep 19, 2026Updated last month
- BET Surface Identification - a program that fully implements the rouquerol criteria☆17Jul 6, 2023Updated 3 years ago
- Charge equilibration method for crystal structures☆18Dec 16, 2022Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- BET Surface Identification - a program that fully implements the rouquerol criteria☆22Jun 21, 2023Updated 3 years ago
- AiiDA plugin for Gaussian quantum chemistry software☆12Oct 15, 2026Updated 2 weeks ago
- Repo for Advanced Use of LAMMPS course☆10Jan 17, 2024Updated 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 …☆12Nov 22, 2024Updated last year
- A complete software environment for modeling and simulating materials, tailored for a MOF chemist☆53Updated this week
- ☆37Sep 18, 2025Updated last year
- Ideal Adsorbed Solution Theory☆66Jul 11, 2021Updated 5 years ago
- Basic sanity checks for MOFs.☆35Jul 6, 2026Updated 3 months ago
- Machine-learning-driven VASP interface using MACE potentials☆52Sep 26, 2026Updated last month
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆57Updated this week
- AiiDA workflows for the LSMO laboratory at EPFL☆12Sep 8, 2023Updated 3 years ago
- Licensed under Academic Non-Commercial Share-Alike License☆19Sep 3, 2025Updated last year
- This software is a general purpose classical simulation package. Online documentation available at:☆107Updated this week
- Python On Resonance (PyOR), a versatile NMR simulator☆14Oct 6, 2026Updated 3 weeks ago
- For the conversion of crystal systems (as cifs) to LAMMPS inputs☆27Sep 13, 2021Updated 5 years ago
- Computational chemistry software tutorials☆27Jan 15, 2019Updated 7 years ago
- Mirror of http://zeoplusplus.org/☆15May 3, 2018Updated 8 years ago
- Recognition of the images with artificial intelligence includes train and tests based on Python.☆15Aug 31, 2024Updated 2 years ago
- 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.
- Simulator programs and utilities for microbially induced calcite precipitation.☆10Aug 16, 2026Updated 2 months ago
- ☆20Nov 19, 2025Updated 11 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
- Dashboard to explore CoRE MOF database☆13Jul 5, 2020Updated 6 years ago
- Darcy scale image analysis toolbox☆14Updated this week
- GPU Monte Carlo Simulation Code with a taste of RASPA☆101Updated this week
- Soprano - a Python library to crack crystals!☆13Oct 15, 2026Updated 2 weeks ago