A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks
☆15Jul 15, 2020Updated 6 years ago
Alternatives and similar repositories for TL_MOF
Users that are interested in TL_MOF are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆18Feb 1, 2023Updated 3 years ago
- Basic sanity checks for MOFs.☆35Jul 6, 2026Updated 3 months ago
- Licensed under Academic Non-Commercial Share-Alike License☆19Sep 3, 2025Updated last year
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆13Aug 26, 2025Updated last year
- GPUMD and LAMMPS helper functions for thermal computations☆10May 21, 2022Updated 4 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.☆10Sep 24, 2023Updated 3 years ago
- CoRE-MOF as a Python package☆26Nov 21, 2024Updated 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
- ☆35Jul 25, 2025Updated last year
- 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 python package to analyze Molecular Dynamics (MD) trajectories of amorphous Metal-Organic Frameworks (MOFs).☆13Aug 29, 2023Updated 3 years ago
- A collection of tools I created related to the molecular simulations package RASPA.☆12Dec 4, 2023Updated 2 years ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Nov 11, 2019Updated 6 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.
- AiiDA workflows for the LSMO laboratory at EPFL☆12Sep 8, 2023Updated 3 years ago
- CHEMSMART: Chemistry Simulation and Modeling Automation Toolkit☆47Updated this week
- AIM (Adsorption Integrated Modules) is a collection of MATLAB based GUI modules for adsorption isotherm based fixed bed process modelling☆20Sep 17, 2026Updated last month
- Python codes for calculation of polarization displacement vector in ferroelectric materials☆17Sep 11, 2026Updated last month
- Poreblazer is a set of Fortran 90 tools for structural characterization of porous materials.☆13Feb 28, 2018Updated 8 years ago
- This GitHub repository contains additional information supporting published manuscripts☆21Sep 9, 2024Updated 2 years ago
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆34Jul 28, 2025Updated last year
- Solver for the Semiconductor Bloch Equations describing optical response of a semiconductor nano-structure on an optical excitation.☆20Jun 12, 2025Updated last year
- ☆18Sep 29, 2026Updated 2 weeks 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.
- Implementation for AtomMOF: All-Atom Flow Matching for MOF-Adsorbate Structure Prediction☆19Oct 7, 2026Updated last week
- Framework to evaluate UMLFFs on experimental data☆17Jul 25, 2026Updated 2 months ago
- A workflow to create computation-ready metal-organic framework database.☆42Oct 9, 2026Updated last week
- ☆77Mar 13, 2024Updated 2 years ago
- Python program for analyzing the output files of phonopy.☆15Sep 14, 2021Updated 5 years ago
- A repository to hold forcefields for molecular mechanics calculations with RASPA☆20Mar 27, 2025Updated last year
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- Simulates molecular adsorption and diffusion on nanoporous materials.☆19Apr 28, 2026Updated 5 months ago
- A tool collection of the Computational Materials Chemistry group at the Ruhr-University Bochum☆17Jan 28, 2026Updated 8 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.
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆56Oct 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…☆65Dec 29, 2023Updated 2 years ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆126May 23, 2026Updated 4 months ago
- Ideal Adsorbed Solution Theory☆66Jul 11, 2021Updated 5 years ago
- ☆14Aug 27, 2024Updated 2 years ago
- Python library for generation of MOFs, COFs, Zeolites...☆42Sep 2, 2026Updated last month
- Sample selection using Kennard-Stone algorighm☆11Jul 15, 2019Updated 7 years ago