Heat capacity predictor for porous materials
☆15Jun 13, 2024Updated 2 years ago
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
- MOFSimBench: Evaluating universal machine learning interatomic potentials in metal-organic framework molecular modeling☆44Dec 17, 2025Updated 7 months ago
- AIM (Adsorption Integrated Modules) is a collection of MATLAB based GUI modules for adsorption isotherm based fixed bed process modelling☆18Jul 19, 2026Updated 3 weeks 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
- AiiDA workflows for the LSMO laboratory at EPFL☆12Sep 8, 2023Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- 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
- A molecular simulation package integrating MLFFs in MOFs for DAC☆48Oct 17, 2025Updated 9 months ago
- Design of metal-organic frameworks using deep dreaming approaches☆21Dec 2, 2025Updated 8 months ago
- An ecosystem for digital reticular chemistry☆52Sep 10, 2024Updated last year
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- Basic sanity checks for MOFs.☆35Jul 6, 2026Updated last month
- ☆37Sep 18, 2025Updated 10 months ago
- predicting charges on MOF atoms via a message passing MOFs☆24Aug 18, 2020Updated 5 years ago
- Charge equilibration method for crystal structures☆17Dec 16, 2022Updated 3 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.
- Licensed under Academic Non-Commercial Share-Alike License☆19Sep 3, 2025Updated 11 months ago
- Python library for the construction of porous materials using topology and building blocks.☆92Updated this week
- The MOF website for property prediction and community engagement.☆41Oct 24, 2025Updated 9 months ago
- PSA simulation code☆21Jan 27, 2023Updated 3 years ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆165Nov 15, 2025Updated 8 months ago
- ☆15Jul 22, 2026Updated 2 weeks ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆25Updated this week
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- ☆40Oct 26, 2025Updated 9 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆66Jun 5, 2026Updated 2 months ago
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆31Aug 20, 2024Updated last year
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆54Oct 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…☆63Dec 29, 2023Updated 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 8 months ago
- Example scripts using the CSD Python API☆92Updated this week
- Coarse-grained Diffusion for Metal-Organic Framework Design☆64Jun 18, 2024Updated 2 years ago
- A Python package for adsorption processes☆32Jan 30, 2026Updated 6 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆64Jul 2, 2026Updated last month
- zeo++ fork of the LSMO☆24Dec 19, 2022Updated 3 years ago
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆32Jul 28, 2025Updated last year
- Universal Transfer Learning in Porous Materials, including MOFs.☆123May 23, 2026Updated 2 months ago
- Chemical Data Science and Engineering - University of Toronto☆25Nov 21, 2025Updated 8 months ago
- A knowledge graph unifying computational and experimental data for MOFs☆48Nov 14, 2025Updated 8 months ago
- ☆11Feb 2, 2024Updated 2 years ago