deepmodeling / DeePTB

DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
GNU Lesser General Public License v3.0
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Export the full trained PyTorch model to device-and-system-independent forms #143

Open AlexanderZ11234 opened 6 months ago

AlexanderZ11234 commented 6 months ago

Background

By "device-and-system-independent forms", I mean a full model (not just its trained parameters) stored in a format that can be imported and used by programming languages other than Python. The format can, but is not limited to, e.g., *.onnx.

Describe the solution you'd like

The present stored model is a .pth file, which I am not sure is the full model or just the trained parameters. It would be highly appreciated if in just one line of command the .pth file is transformed into a *.onnx file.

Additional Context

No response