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whitead / synspace

Synthesis generative model
MIT License
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Improve Reactions #2

Open whitead opened 1 year ago

whitead commented 1 year ago

The reactions leave "anybonds" in the SMILES. Should be improved with better reactions (and a broader set). See notes here: https://github.com/ur-whitelab/exmol/issues/129

whitead commented 1 year ago

DINGOS reactions https://codeocean.com/capsule/8271554/tree/v1