CompPhysVienna / n2p2

n2p2 - A Neural Network Potential Package
https://compphysvienna.github.io/n2p2/
GNU General Public License v3.0
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How to specify the test set instead of random split #194

Open phys-chem opened 9 months ago

phys-chem commented 9 months ago

The question Can I provide training and test (validation) sets in two different files?

What did you already try? I have read the document but never find the set.

I split my data set into two parts and want to specify it in training for benchmarks. What should I set in N2P2? Thank you very much.