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chython
chython
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chython
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Commits on Feb 9, 2025
rdkit converter fixed.
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reactor fixed.
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Commits on Feb 8, 2025
converter to rdkit mol fixed
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ddddc5a
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smiles generation tests refactored
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Commits on Feb 2, 2025
isomorhism tests refactored. partially covered only mol to mol isomorphism
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4512e4e
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fingerprint tests refactored
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Commits on Jan 29, 2025
tokenizer test refactored
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linear fp tests refactored
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aromaticity test refactored.
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tests merged
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Merge remote-tracking branch 'origin/master' into V2
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New tests (#55)
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Commits on Jan 26, 2025
dropped query from molecule generation.
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query stereo isomorphism implemented.
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dropped pach v3. required extensive refactoring
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Commits on Jan 19, 2025
clean2d module refactored
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673debf
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isomorphism extension refactored into structs
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Commits on Dec 25, 2024
Remove unused ring_atoms prop.
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Commits on Dec 24, 2024
V3 specification under change
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7281fe8
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modules structure refactored
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24ce4ec
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Commits on Dec 23, 2024
unpacking reimplemented
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4ab3984
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packing reimplemented
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Commits on Dec 11, 2024
WIP: pach support fixes
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Commits on Nov 23, 2024
fixes
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907ed2c
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Reactors refactoring started
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3e1799e
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Fixed stereo parsing bug
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df0b08c
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Refactor: Update mdl module import paths
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Commits on Nov 22, 2024
saved
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057d615
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fixes. better cache management
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a12b4b3
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cleaning
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fixed FWA
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534c983
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removed overoptimizations.
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41e1486
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fixes. removed overoptimizations.
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saved
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Commits on Nov 20, 2024
Refactor container attribute access and remove unused methods
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