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aimnet2calc

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AIMNet2 Calculator: Fast, Accurate Molecular Simulations

Installation

To install this package, run one of the following:

Conda
$conda install phenix-project::aimnet2calc

Usage Tracking

0.0.1
1 / 8 versions selected
Downloads (Last 6 months): 0

Description

This package integrates the powerful AIMNet2 neural network potential into your simulation workflows. AIMNet2 provides fast and reliable energy, force, and property calculations for molecules containing a diverse range of elements.

About

Summary

AIMNet2 Calculator: Fast, Accurate Molecular Simulations

Last Updated

Feb 18, 2025 at 20:01

License

MIT

Total Downloads

15

Supported Platforms

noarch