• License: MIT
• Home: https://github.com/zubatyuk/aimnet2calc
• Development: https://github.com/zubatyuk/aimnet2calc
• Documentation: https://github.com/zubatyuk/aimnet2calc
• 0 total downloads
• Last upload: 21 days and 14 hours ago

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.