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Bug fix SuCOS score #42

Merged
merged 7 commits into from
Jul 10, 2024
Merged

Bug fix SuCOS score #42

merged 7 commits into from
Jul 10, 2024

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maabuu
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@maabuu maabuu commented Jul 10, 2024

SuCOS module:

  • ensure score not larger than 1
  • handle molecules without features - will only use shape overlap
  • add references to RDKit blog and papers for feature map-based similarity metrics

@maabuu maabuu merged commit 7d9f377 into main Jul 10, 2024
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@maabuu maabuu deleted the color_and_shape branch July 10, 2024 11:29
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