Heat capacity predictor for porous materials
☆14Jun 13, 2024Updated last year
Alternatives and similar repositories for tools-cp-porousmat
Users that are interested in tools-cp-porousmat are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Modification of RASPA2 code for GC-TMMC simulations☆13Apr 18, 2024Updated 2 years ago
- AIM (Adsorption Integrated Modules) is a collection of MATLAB based GUI modules for adsorption isotherm based fixed bed process modelling☆17Nov 14, 2025Updated 5 months ago
- MOFSimBench: Evaluating universal machine learning interatomic potentials in metal-organic framework molecular modeling☆38Dec 17, 2025Updated 4 months ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆17Feb 6, 2025Updated last year
- 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
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Design of metal-organic frameworks using deep dreaming approaches☆20Dec 2, 2025Updated 4 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 11 months ago
- AiiDA workflows for the LSMO laboratory at EPFL☆11Sep 8, 2023Updated 2 years ago
- Charge equilibration method for crystal structures☆18Dec 16, 2022Updated 3 years ago
- Basic sanity checks for MOFs.☆35Apr 13, 2026Updated last week
- An ecosystem for digital reticular chemistry☆52Sep 10, 2024Updated last year
- Python library for the construction of porous materials using topology and building blocks.☆84May 28, 2025Updated 10 months ago
- PSA simulation code☆21Jan 27, 2023Updated 3 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 last week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆36Sep 18, 2025Updated 7 months ago
- Chemical Data Science and Engineering - University of Toronto☆22Nov 21, 2025Updated 4 months ago
- predicting charges on MOF atoms via a message passing MOFs☆24Aug 18, 2020Updated 5 years ago
- The MOF website for property prediction and community engagement.☆39Oct 24, 2025Updated 5 months ago
- zeo++ fork of the LSMO☆24Dec 19, 2022Updated 3 years ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆45Oct 17, 2025Updated 6 months ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆160Nov 15, 2025Updated 5 months ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆63Oct 2, 2025Updated 6 months ago
- ☆36Oct 26, 2025Updated 5 months ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- A collection of tools I created related to the molecular simulations package RASPA.☆12Dec 4, 2023Updated 2 years ago
- ☆20Nov 19, 2025Updated 5 months ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆59Dec 29, 2023Updated 2 years ago
- ☆15Sep 14, 2023Updated 2 years ago
- ☆36Mar 4, 2024Updated 2 years ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆64Sep 10, 2023Updated 2 years ago
- Example scripts using the CSD Python API☆90Updated this week
- Universal Transfer Learning in Porous Materials, including MOFs.☆120Jun 20, 2024Updated last year
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- A text-guided diffusion model for crystal structure generation☆78May 30, 2025Updated 10 months ago
- Molecular Crystal Representation from Transformer☆16Dec 19, 2024Updated last year
- Licensed under Academic Non-Commercial Share-Alike License☆19Sep 3, 2025Updated 7 months ago
- TrajCast: Force-Free MD Through Autoregressive Equivariant Networks☆60Sep 23, 2025Updated 6 months ago
- ☆12Feb 2, 2024Updated 2 years ago
- Split a MOF into its building blocks.☆25Dec 24, 2022Updated 3 years ago
- A Python package for adsorption processes☆33Jan 30, 2026Updated 2 months ago