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Published 20 hours ago • verified publisher icon n-gao
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Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-free Inference ob Ab-Initio Potential Energy Surface Networks" (...

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Failed in plotting

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After installing the latest version of JAX, I used the `pip install -e .` command to install PESnet. The network runs successfully, but it seems there's no correct output for...

xiazhuozhao avatar xiazhuozhao

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verified publisher icon n-gao

Metadata

Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-free Inference ob Ab-Initio Potential Energy Surface Networks" (...

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