Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics
☆24Apr 27, 2026Updated 2 months ago
Alternatives and similar repositories for PyRAI2MD-hiam
Users that are interested in PyRAI2MD-hiam are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- DensityTool post-processing program for VASP☆32Nov 29, 2023Updated 2 years ago
- A one-stop-shop for handling data in computational spectroscopy☆17Jan 26, 2026Updated 5 months ago
- Implementing PaiNN in Pytorch Geometric☆14Mar 10, 2022Updated 4 years ago
- ☆22Nov 29, 2021Updated 4 years ago
- The main repository of Open Quantum Platform (OpenQP) maintained by Choi Group at KNU.☆67Updated this week
- 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 collection of files related to machine learning force fields☆25Oct 25, 2023Updated 2 years ago
- ReaxNet: a polarizable long-range interactions integrated equivariant machine learning potential☆16Jan 6, 2026Updated 6 months ago
- ☆11Apr 17, 2025Updated last year
- This GitHub repository contains additional information supporting published manuscripts☆21Sep 9, 2024Updated last year
- Learn molecular simulation with Python☆17Dec 31, 2024Updated last year
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Feb 17, 2023Updated 3 years ago
- Materials Science Scripts☆13Aug 28, 2025Updated 10 months ago
- Evaluation of universal machine learning force-fields https://doi.org/10.1021/acsmaterialslett.5c00093☆14Jul 8, 2025Updated last year
- ☆50Sep 5, 2024Updated last year
- 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.
- High-throughput DFT of MOFs using ASE/VASP