Mirror of the NIST ISODB API (https://adsorption.nist.gov/isodb)
☆17Sep 19, 2026Updated last month
Alternatives and similar repositories for isodb-library
Users that are interested in isodb-library are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Example tools for modeling adsorption processes using the API tools from http://adsorption.nist.gov☆13Apr 29, 2021Updated 5 years ago
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆22Jun 28, 2024Updated 2 years ago
- Deep learning model for predicting adsorption isotherms of MOFs☆18Oct 5, 2022Updated 4 years ago
- ☆15Jul 22, 2026Updated 3 months ago
- A Python package to run adsorption simulation in nanoporous materials using Machine Learning Potentials and other methods powered by ASE☆24Updated this week
- 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.
- AiiDA workflows for the LSMO laboratory at EPFL☆12Sep 8, 2023Updated 3 years ago
- CoRE-MOF as a Python package☆26Nov 21, 2024Updated last year
- The MOF website for property prediction and community engagement.☆43Oct 24, 2025Updated last year
- ☆43Jan 17, 2025Updated last year
- A Reinforcement Framework for Inverse Design of MOFs☆37Aug 7, 2024Updated 2 years ago
- ASE calculator for RASPA2☆12Feb 1, 2025Updated last year
- Universal Transfer Learning in Porous Materials, including MOFs.☆128May 23, 2026Updated 5 months ago
- ☆35Jul 25, 2025Updated last year
- ☆20Nov 19, 2025Updated 11 months 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.
- Ideal Adsorbed Solution Theory☆67Jul 11, 2021Updated 5 years ago
- Awesome list of open source tools that can help simulate, treat understand or disseminate adsorption data.☆30Jun 1, 2023Updated 3 years ago
- ☆35Aug 3, 2021Updated 5 years ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 3 years ago
- Zeolite GAN☆28Jun 17, 2020Updated 6 years ago
- A workflow to create computation-ready metal-organic framework database.☆45Oct 29, 2026Updated last week
- ChatGPT Chemistry Assistant☆89Aug 7, 2023Updated 3 years ago
- Create new MOFs by combining generative AI and simulation on HPC☆29May 30, 2026Updated 5 months ago
- Software for the text mining of the synthesis method, solvent, topology, organic linker, and metal precursor of metal-organic frameworks.☆24Mar 20, 2022Updated 4 years 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.
- Totally Open Pressure Swing Adsorption Intensification Laboratory☆23Sep 16, 2026Updated last month
- Large Language Models Material Miner☆59Mar 21, 2026Updated 7 months ago
- Python library for the construction of porous materials using topology and building blocks.☆95Aug 9, 2026Updated 2 months ago
- MOFSimBench: Evaluating universal machine learning interatomic potentials in metal-organic framework molecular modeling☆48Oct 14, 2026Updated 3 weeks ago
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆30Oct 16, 2026Updated 3 weeks ago
- GPU Monte Carlo Simulation Code with a taste of RASPA☆101Oct 23, 2026Updated 2 weeks ago
- This software is a general purpose classical simulation package. Online documentation available at:☆108Updated this week
- ☆19Aug 4, 2024Updated 2 years ago
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆171May 24, 2023Updated 3 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- A simple tool for launching ensembles☆12Updated this week
- ☆41Dec 16, 2021Updated 4 years ago
- Split a MOF into its building blocks.☆25Dec 24, 2022Updated 3 years ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆49Oct 17, 2025Updated last year
- Matrix factorization and deep learning for molecular property prediction☆13Apr 4, 2019Updated 7 years ago
- The Hydrogen Permeation Analysis Tool (HyPAT) provides a user friendly interface for batch analysis of dynamic hydrogen permeation data t…☆13Jun 18, 2026Updated 4 months ago
- Etomica is a molecular simulation framework written in Java, developed at the Department of Chemical & Biological Engineering at the Uni…☆17Oct 27, 2026Updated last week