Functionality for deriving hierarchical scaffolds#5

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Jack-42 wants to merge 14 commits into

scaffolds_update

Commits on Apr 4, 2024

work on scaffoldmap w/ attachment points
Jack-42
committed

Commits on Apr 8, 2024

work on scaffoldmap
Jack-42
committed

Commits on Apr 11, 2024

update scaffoldmap
Jack-42
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Commits on May 8, 2024

first pass at hierarchical scaffolds
Jack-42
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Commits on May 9, 2024

update to use two output files for hier_scaf
Jack-42
committed

Commits on May 13, 2024

Commits on May 31, 2024

use different params for hier_scaf, option to use molsupplier in scafnet (for large datasets)
Jack-42
committed

Commits on Jun 5, 2024

update to (try to) account for scaffolds which are identical to the parent mol
Jack-42
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