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README.md 2025-06-07 710 Bytes
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MolecularGraph v0.19.1

Diff since v0.19.0

  • Fixed SDFilereader (#126)
  • Added make build command to build ilbrary package instead of the PackageCompiler.jl script. This was enabled by juliac.jl script, but still not compatible with --trim option.

Closed issues: - moltosmiles function? (#23) - mol to smiles function (solving) (#67) - Morgan Fingerprint (#72) - Molecule metadata (e.g. option block in SDFile) behavior in the next version (#110) - Changes in atom valence and hybridization (v0.17.0) (#111) - Error for drawing 3D molecule (#112) - Breaking changes in upcoming v0.18.0 (#122) - Interface to RDKit (#123)

Source: README.md, updated 2025-06-07