`pynnsmd`

Neural Network for learning potential energy surface for molecular dynamics.

Ecosystem
pypi.org

Latest Release
2.0.0
over 4 years ago

Versions
3

Downloads
131 last month

Dependent Repos
1

Readme

Keywords
materials science machine learning deep dynamics molecular potential ab-initio-simulations excited-states machine-learning molecular-dynamics neural-network potentials

Stars	10 on GitHub
Forks	6 on GitHub

repos.ecosyste.ms

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