CMD + K

psiflow

Community

Interatomic potential development library

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::psiflow

Usage Tracking

3.0.4
3.0.3
3.0.2
3.0.1
3.0.0
5 / 8 versions selected
Downloads (Last 6 months): 0

Description

Psiflow is a modular and scalable library for developing interatomic potentials. It uses Parsl to interface popular trainable interaction potentials with quantum chemistry software, and is designed to support computational workflows on hundreds or thousands of nodes. Psiflow is designed as an end-to-end framework; it can orchestrate all computational components between an initial atomic structure and the final trained potential.

About

Summary

Interatomic potential development library

Last Updated

Feb 14, 2024 at 06:28

License

MIT

Total Downloads

9.7K

Supported Platforms

noarch