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- An electronic structure package based on either plane wave basis or numerical atomic orbitals.
- A deep learning package for many-body potential energy representation and molecular dynamics
- DeepModeling projects
dpdispatcher
Publicdpgen
PublicThe deep potential generator to generate a deep-learning based model of interatomic potential energy and force fielddpti
PublicA Python Package to Automate Thermodynamic Integration Calculations for Free Energydpgui
Publicdeepmd-gnn
PublicGPUMD
PublicUni-Mol
PublicOfficial Repository for the Uni-Mol Series Methods- DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
- DeepModeling dargs arguments generation
dftio
Publicjax-fem
PublicDifferentiable Finite Element Method with JAXopenlam
Publicdocs
Public