Ala-Nissila, “GPUMD: A package for constructing accurate machinelearned potentials and performing highly efficient atomistic simulations,” J. Chem. Phys. 157, 114801 (2022). I. S. Novikov, K. Gubaev, E. V. Podryabinkin, and A. V. Shapeev, “The MLIP package: moment tensor ...
Weinan. DeePMD-Kit: A Deep Learning Package for Many- Body Potential Energy Representation and Molecular Dynamics. Computer Physics Communications, 228:178-184, 2018.Wang, H.; Zhang, L.; Han, J.; E, W. DeePMD-kit: A Deep Learning Package For Many-body Potential Energy Representation and ...
Github网站:GitHub - deepmodeling/deepmd-kit: A deep learning package for many-body potential energy representation and molecular dynamics DeepModeling社区的教程:DeePMD-kit’s documentation — DeePMD-kit documentation (deepmodeling.com) 介绍视频(蔻享):王啸洋:A tutorial introduction to DeePMD-kit (koush...
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 molecular dynamics (MD). This brings new hopes to addressing the accuracy-versus-efficiency dilemma in molecular...
deepmd.model package class deepmd.model.DOSModel(*args, **kwargs)[source] Bases: StandardModel DOS model. Parameters descriptor Descriptor fitting_net Fitting net type_embedding Type embedding net type_map Mapping atom type to the name (str) of the type. For example type_map[1] ...
LGPL-3.0 license DeePMD-kit Manual Table of contents About DeePMD-kit 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 molecular dynamics (MD). This brings ne...
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 molecular dynamics (MD). This brings new hopes to addressing the accuracy-versus-efficiency dilemma in molecular...
deepmd.op package This module will house cust Tf OPs after CMake installation. deepmd.op.import_ops()[source] Import all custom TF ops that are present in this submodule. Notes Initialy this subdir is unpopulated. CMake will install all the op module python files and shared libs....
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 molecular dynamics (MD). This brings new hopes to addressing the accuracy-versus-efficiency dilemma in molecular...
An interatomic potential for Al-Tb alloy around the composition of Al90Tb10 was developed using the deep learning method with DeePMD-kit package. The atomic configurations and the corresponding total potential energies and forces on each... L Tang,ZJ Yang,TQ Wen,... - 《Physical Chemistry Che...