Adding PAINNStack #273
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Adding PAINNStack #273
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Do not approve this yet if it passes the tests. I'm currently commenting out large blocks to identify the cause of the error. |
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@allaffa @jychoi-hpc @pzhanggit Could one of you request to have the tests re-run here? I believe I've made a change to fix an error. |
Just re-ran it. It seems there is some format issue |
RylieWeaver
requested review from
allaffa,
JustinBakerMath and
pzhanggit
and removed request for
JustinBakerMath
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@pzhanggit @allaffa I believe its passed all checks now. Could you review? |
allaffa
approved these changes
Oct 8, 2024
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@RylieWeaver |
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The merge conflicts are fixed. More will pop up when MACE or this one is merged, but that can be fixed quick. |
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The following is an implementation of the 'Polarizable Atom Interaction Neural Network' (PAINN) model.
(ArXiV Link](https://arxiv.org/abs/2102.03150)).
This is an equivariant message-passing stack.