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Use mapped SMILES in Molecule hashing #1773

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Use mapped SMILES in Molecule hashing #1773

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Resolves #1772

@mattwthompson mattwthompson changed the title Test hash collision Use mapped SMILES in Molecule hashing Nov 21, 2023
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codecov bot commented Nov 21, 2023 •
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Codecov Report

Merging #1773 (e0e862a) into main (779565b) will decrease coverage by 0.02%.
The diff coverage is 100.00%.

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@mattwthompson mattwthompson marked this pull request as ready for review November 21, 2023 17:43
@j-wags j-wags closed this Nov 29, 2023
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We decided to not update Molecule.__hash__ here, favoring downstream solutions for now.

If we do update this, using something like ordered_connection_table_hash might be better.

@mattwthompson mattwthompson deleted the mapped-smiles-hash branch May 13, 2024 16:38
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Successfully merging this pull request may close these issues.

Current Molecule hashing is dangerous
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@mattwthompson @j-wags