Python library for the construction of porous materials using topology and building blocks.
☆89Jun 5, 2026Updated last week
Alternatives and similar repositories for PORMAKE
Users that are interested in PORMAKE are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆73Apr 7, 2021Updated 5 years ago
- A julia package for the manipulation of crystal net representations and topology☆56May 1, 2026Updated last month
- ☆10Mar 25, 2023Updated 3 years ago
- Basic sanity checks for MOFs.☆35Apr 13, 2026Updated 2 months ago
- ☆20Nov 19, 2025Updated 6 months 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.
- Universal Transfer Learning in Porous Materials, including MOFs.☆122May 23, 2026Updated 3 weeks ago
- ☆36Sep 18, 2025Updated 8 months ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆17Feb 6, 2025Updated last year
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆162Nov 15, 2025Updated 6 months ago
- A workflow to create computation-ready metal-organic framework database.☆38Oct 9, 2025Updated 8 months ago
- ☆19Jun 29, 2017Updated 8 years ago
- zeo++ fork of the LSMO☆25Dec 19, 2022Updated 3 years ago
- The MOF website for property prediction and community engagement.☆39Oct 24, 2025Updated 7 months ago
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆33Jul 28, 2025Updated 10 months 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.
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆52Oct 22, 2023Updated 2 years ago
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆23Nov 13, 2021Updated 4 years ago
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆14Aug 26, 2025Updated 9 months ago
- ☆18Feb 1, 2023Updated 3 years ago
- AiiDA workflows for the LSMO laboratory at EPFL☆12Sep 8, 2023Updated 2 years ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆24Apr 9, 2026Updated 2 months ago
- CoRE-MOF as a Python package☆24Nov 21, 2024Updated last year
- GPU Monte Carlo Simulation Code with a taste of RASPA☆90Updated this week
- Charge equilibration method for crystal structures☆18Dec 16, 2022Updated 3 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A system for rapid identification and analysis of metal-organic frameworks☆69Dec 7, 2025Updated 6 months ago
- A Reinforcement Framework for Inverse Design of MOFs☆35Aug 7, 2024Updated last year
- Heat capacity predictor for porous materials☆14Jun 13, 2024Updated 2 years ago
- This software is a general purpose classical simulation package. Online documentation available at:☆98Jun 6, 2026Updated last week
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆65Jun 5, 2026Updated last week
- High-throughput DFT of MOFs using ASE/VASP☆31May 22, 2023Updated 3 years ago
- Text mining synthesis information in metal organic framework☆13Aug 25, 2021Updated 4 years ago
- ☆70Mar 13, 2024Updated 2 years ago
- A repository to hold forcefields for molecular mechanics calculations with RASPA☆16Mar 27, 2025Updated last year
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- A molecular simulation package integrating MLFFs in MOFs for DAC☆47Oct 17, 2025Updated 7 months ago
- ☆32Jul 25, 2025Updated 10 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
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆63Dec 29, 2023Updated 2 years ago
- Split a MOF into its building blocks.☆25Dec 24, 2022Updated 3 years ago
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆167May 24, 2023Updated 3 years ago
- PSA simulation code☆21Jan 27, 2023Updated 3 years ago