”deepmd“ 的搜索结果

#计算机科学#A deep learning package for many-body potential energy representation and molecular dynamics

A lightweight DeepPotentialMD with JAX backend, and more than that! Built for both performance and flexibility in pure Python.

#计算机科学#Hallucinations of a neural network set to music

DeePMD-kit plugin for various graph neural network models

Reproduce partial features of DeePMD-kit using PyTorch.

A docker of DeePMD-kit

Deprecation - migrated to DeePMD-kit

A conda-smithy repository for deepmd-kit.

CLI toolkit for training and applying DeePMD models

Conda recipes for DeePMD-kit. (Moved to https://github.com/deepmd-kit-recipes)

A Python package for manipulating atomistic data of software in computational science