Forces test #283
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Forces test #283
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allaffa
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Sep 21, 2024
RylieWeaver
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Sep 25, 2024
* force tests, which required model arg, and some typo fixing in Lennard Jones * Add PNAPlus since it uses positions as well * formatting
RylieWeaver
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* force tests, which required model arg, and some typo fixing in Lennard Jones * Add PNAPlus since it uses positions as well * formatting
RylieWeaver
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* force tests, which required model arg, and some typo fixing in Lennard Jones * Add PNAPlus since it uses positions as well * formatting
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This conducts force prediction tests. It directly pulls from the Lennard Jones example, rather than creating its own data independently as done in test_graphs.py. The model stacks that work with this are SchNet, EGNN, DimeNet, and PNAPlus.