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Enable the assignment of Forcefiled parameters to generated molecules. #48

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merged 16 commits into from
Dec 13, 2023

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InnocentBug
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This is a more crude implementation for now.
Build on this helper class, we intent to implement more sophisticated outputs and maybe better assignement strategies for large molecules.

@InnocentBug InnocentBug self-assigned this Dec 12, 2023
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trunk-io bot commented Dec 12, 2023

😎 Merged successfully (details).

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/trunk merge

@trunk-io trunk-io bot merged commit f247add into main Dec 13, 2023
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@trunk-io trunk-io bot deleted the forcefield branch December 13, 2023 00:52
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