deepmodeling / deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics
https://docs.deepmodeling.com/projects/deepmd/
GNU Lesser General Public License v3.0
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[Docs] Add more FAQs about the chocie of parameters #2268

Open njzjz opened 1 year ago

njzjz commented 1 year ago

Summary

Currently, we have a benchmark of network size in the FAQ. I think we should choose some typical datasets to test more parameters and benchmark their accuracy and speed (for both CPUs and GPUs).

Detailed Description

I have several ideas here:

Further Information, Files, and Links

No response

wangsl613 commented 2 months ago

Given that FP64 does not enhance accuracy over FP32, how can I switch from FP64 to FP32 in deepmd during training? Please let me know. Many thanks!