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README.md 2025-07-06 790 Bytes
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MolecularGraph v0.20.2

Diff since v0.20.1

  • Reverted some undesirable changes in v0.20
  • svgcolor in hex form -> rgb
  • It is still challenging to run juliac.jl in Docker environment. PackageCompiler.jl will be a primary option for a while longer.
  • Newly introduced remove_all_hydrogen! in preprocessing method for substructure match can cause mismatch in isomorphism mappings (#136). This has been removed and alternative workflow will be documented in the tutorial soon.
  • Text positioning in 2D drawings has been slightly improved.

Closed issues: - sdfilewriter/printv2mol fails if 3D coords are present (#134) - sdftomol() in v0.20.0 fails due to inconsistent ISO property type (#135)

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