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deepmodeling/deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

Owner
deepmodeling (organization)
Stars
Stars: 2,074
Forks
Forks: 663
Language
Python
License
LGPL-3.0
Created
2017
Topics
deep-learningmolecular-dynamicsdeepmdlammpspotential-energypythontensorflowcppcudarocm
Tier
RC (2,000 to 4,999 ★) What this tier means
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