Ramprasad-Group/ML-DFT Ramprasad-Group/ML-DFT

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    Python
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  • Created about 2 years ago
  • Updated 11 months ago
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Ramprasad-Group/ML-DFT
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Ramprasad-Group

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Repository Details

Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.

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