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集合主题趋势排行榜
#

deepmd

Website
Wikipedia
deepmodeling/deepmd-kit
https://static.github-zh.com/github_avatars/deepmodeling?size=40
deepmodeling / deepmd-kit

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

深度学习Molecular Dynamicsdeepmdlammpspotential-energyPythonTensorflowC++CUDArocmcomputational-chemistrymaterials-scienceCNode.jsPyTorchjaxpaddle
Python 1.68 k
5 天前
https://static.github-zh.com/github_avatars/chenggroup?size=40
chenggroup / ai2-kit

A toolkit featured artificial intelligence × ab initio for computational chemistry research.

Chemistrydeepmdhpclammpsslurmworkflowmdanalysis
Python 67
2 个月前
https://static.github-zh.com/github_avatars/deepmodeling?size=40
deepmodeling / deepmd-gnn

DeePMD-kit plugin for various graph neural network models

deepmdPythonPyTorch
Python 46
13 天前
https://static.github-zh.com/github_avatars/Hashan-Peiris?size=40
Hashan-Peiris / DeePMD-Codes

Automated scripts for DeePMD result plotting, testing, and outlier analysis in materials science.

自动化deepmdMolecular DynamicsplottingPython
Python 1
3 个月前