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  • Princeton, NJ, USA
  • 03:06 (UTC -05:00)

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6 stars written in C++
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A deep learning package for many-body potential energy representation and molecular dynamics

C++ 1,547 526 Updated Jan 8, 2025

An electronic structure package based on either plane wave basis or numerical atomic orbitals.

C++ 179 138 Updated Jan 9, 2025

An electronic structure package based on either plane wave basis or numerical atomic orbitals.

C++ 161 167 Updated Jan 2, 2025
C++ 27 11 Updated Jun 23, 2024

A library for using machine-learned exchange-correlation functionals for density-functional theory

C++ 17 4 Updated Sep 18, 2021

Metadynamics plugin for HOOMD-blue

C++ 6 4 Updated Jan 13, 2020