DeePMD-kit’s documentation — DeePMD-kit documentation
DeePMD-kit’s documentation # DeePMD-kit is a package written in Python/C++, designed to minimize the effort required to build deep learning-based models of interatomic potential …
A deep learning package for many-body potential energy ... - GitHub
DeePMD-kit is a package written in Python/C++, designed to minimize the effort required to build deep learning-based model of interatomic potential energy and force field and to perform …
DeePMD-kit v2: A software package for deep potential models
The local frame descriptor D i ∈ R N c × {1, 4} (sometimes simply called the DPMD model), which is the first version of the DP descriptor, 9 is constructed by using either full information or …
DeePMD-kit | Computational Chemical Sciences Open-Source …
MD simulations based on the DNN-PES, called deep potential molecular dynamics (DPMD), have computational cost that scales linearly with system size and is many orders of magnitude …
A Deeper Look at Deep Potential Molecular Dynamics
Apr 29, 2021 · Called Deep Potential Molecular Dynamics (DPMD), it achieved record molecular dynamics simulations on Summit, the first to reliably model from quantum mechanics the …
Deep Potential Molecular Dynamics: A Scalable Model with the …
Apr 4, 2018 · We introduce a scheme for molecular simulations, the deep potential molecular dynamics (DPMD) method, based on a many-body potential and interatomic forces generated …
DeePMD-kit — CP2K documentation
DeePMD-kit DeePMD-kit is a package written in Python/C++, designed to minimize the effort required to build deep learning-based models of interatomic potential energy and force field …
DPMD - Definition by AcronymFinder
4 definitions of DPMD. Meaning of DPMD. What does DPMD stand for? DPMD abbreviation. Define DPMD at AcronymFinder.com
What does DPMD stand for? - Abbreviations.com
Looking for the definition of DPMD? Find out what is the full meaning of DPMD on Abbreviations.com! 'Defence Postgraduate Medical Deanery' is one option -- get in to view …
2. DeePMD-kit Quick Start Tutorial — DeePMD-kit documentation
This is a quick start guide for “Deep Potential” molecular dynamics using DeePMD-kit, through which you can quickly understand the paradigm cycle that DeePMD-kit operates in and apply it …