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openforcefield
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descent-format-spice

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molecular-mechanics

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jaclark5 commited on Apr 8

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551ef08

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@@ -132,6 +132,7 @@ Meta-OMol25 provides molecular structures, coordinates, energies, and forces, an
 - OpenFF_spin=1: Value('bool')
 - smiles: Value('string')
 - source: Value('string')
 ### Smee Schema

 - OpenFF_spin=1: Value('bool')
 - smiles: Value('string')
 - source: Value('string')
+- lowdin_charges: List(Value('float64'))
 ### Smee Schema