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- A deep learning package for many-body potential energy representation and molecular dynamics
- An electronic structure package based on either plane wave basis or numerical atomic orbitals.
- A Python Package to Automate Thermodynamic Integration Calculations for Free Energy
- The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
DeePTB
PublicDeePTB: A deep learning package for tight-binding approach with ab initio accuracy.deepmodeling-projects
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PublicOfficial Repository for the Uni-Mol Series Methodsdeepflame-dev
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PublicGPUMD
Public- Differentiable Finite Element Method with JAX
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Publicdeepmodeling.github.io
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