DeePMD-kit
github.com/deepmodeling/deepmd-kitDeep learning package for many-body potential energy representation and molecular dynamics, achieving quantum-mechanical accuracy with classical MD efficiency (DeepModeling, Gordon Bell Prize 2020, 1.9k+ stars)
Sourced from
- Awesome AI for Science — github.com/deepmodeling/deepmd-kit
- GitHub — github.com/deepmodeling/deepmd-kit
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