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Across all three versions, there’s a mockToString or spoof helper. But the V3 implementation is subtly more robust than the V2 one, and it’s worth examining why.
Machine learning interatomic potentials like MACE (NeurIPS 2022) have reached a point where they rival density functional theory in accuracy while running orders of magnitude faster. But using them still requires Python scripting, command-line fluency, and environment setup that shuts out a large number of researchers, especially those with accessibility needs, those in under-resourced labs, or students encountering computational chemistry for the first time.