In chemistry, molecules with a "flat" geometry are often stable enough to support a wide range of reactions. But in the quantum world, that's not technically true.
Atoms in molecules occupy fixed positions, connected by rigid rods. A molecule such as formic acid (methanoic acid, HCOOH) is ...
More demonstrations can be found on our project page and arXiv paper. For geometry reconstruction on TnT dataset, please download the preprocessed TnT_data. You also ...
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