Name | Modified | Size | Downloads / Week |
---|---|---|---|
Parent folder | |||
README.md | 2025-06-24 | 563 Bytes | |
v0.20.1 source code.tar.gz | 2025-06-24 | 1.5 MB | |
v0.20.1 source code.zip | 2025-06-24 | 1.6 MB | |
Totals: 3 Items | 3.1 MB | 1 |
MolecularGraph v0.20.1
- The shortest path algorithm used inside
sssr
was specialized for typical molecular graph tasks and get more efficient. - Implemented
Base.copy
forMolGraph
andMolProperty
types (#131). Similar tocopy(graph::SimpleGraph)
, this returns a deepcopy in effect, but far faster thandeepcopy
. - Fixed RDKit fingerprint options and added some method aliases.
MolProperty
types are no longer mutable.- Fixed sdfilereader (#135)