Issues

• Respect the hydrogen count flag in SDFiles

  mojaie/MolecularGraph.jl#156 · Filter by author hhaensel opened on Oct 22, 2026
  9

• coordgen!() changes chirality from unspecified to specified

  mojaie/MolecularGraph.jl#139 · Filter by author hhaensel opened on Sep 26, 2025
  1

• Other implementation of graph algorithms in Graphs.jl

  mojaie/MolecularGraph.jl#128 · Filter by author mojaie opened on Jun 15, 2025

• Feature request: add rdkittomol()

  mojaie/MolecularGraph.jl#125 · Filter by author hhaensel opened on Jun 5, 2025
  3

• xyz2mol ?

  enhancementhelp wanted
  mojaie/MolecularGraph.jl#121 · Filter by author Nick-Mul opened on Apr 20, 2025
  4

• add format converter

  mojaie/MolecularGraph.jl#96 · Filter by author hhaensel opened on Jun 14, 2023
  13

• Support for parsing smiles with per-atom labels e.g. atom mapping

  mojaie/MolecularGraph.jl#87 · Filter by author doncamilom opened on Mar 1, 2023
  5

• isatomvisible kwarg to allow drawing of carbon atoms?

  mojaie/MolecularGraph.jl#69 · Filter by author SimonEnsemble opened on Feb 26, 2022
  4

• MMP

  enhancement
  mojaie/MolecularGraph.jl#55 · Filter by author mojaie opened on Feb 4, 2021

• CIP and stereochemistry

  enhancement
  mojaie/MolecularGraph.jl#29 · Filter by author mojaie opened on Aug 2, 2020

• Layout mechanism in drawing

  enhancement
  mojaie/MolecularGraph.jl#28 · Filter by author mojaie opened on Aug 2, 2020
  2