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yiwenwang47 / equus

MIT License
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Fragmentation #3

Closed yiwenwang47 closed 1 month ago

yiwenwang47 commented 7 months ago

Find single bonds. Create fragments. Mix and match.

yiwenwang47 commented 4 months ago

This might be useful as a normalization method for VAE-generated molecules. If the VAEs don't need this, we will just drop it.