MolecularGraph.jl Files

Graph-based molecule modeling toolkit for cheminformatics

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Name	Modified	Size	InfoDownloads / Week
Parent folder
README.md	2025-08-30	617 Bytes	0
v0.21.1 source code.tar.gz	2025-08-30	1.5 MB	0
v0.21.1 source code.zip	2025-08-30	1.6 MB	0
Totals: 3 Items		3.1 MB	0

MolecularGraph v0.21.1

Diff since v0.21.0

Implement Base.setindex! molecule property accessor which was actually not implemented in v0.21.0.
Fixed regression in 2D molecule drawing.
Fixed a bug in serialization of molecules.

Closed issues: - Performance of common substructure/maximalcliques (#50) - R-Group and text node (#71) - SMARTS/SMILES: consider the order of conditions in the bracket (#124) - Confusing property accessors (#130) - custom updaters does not work (#132) - Stereochemistry in substructure match (#133)

Source: README.md, updated 2025-08-30

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MolecularGraph.jl Files

Graph-based molecule modeling toolkit for cheminformatics

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MolecularGraph v0.21.1