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  1. Aug 24, 2018
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  5. Aug 20, 2018
    • Hervé  MENAGER's avatar
      install openbabel and python bindings · 620d87e3
      Hervé MENAGER authored
      Former-commit-id: f4a9ce0206343f8a31b309cee279792695f39212
      620d87e3
    • Hervé  MENAGER's avatar
      Chemical similarity part 1 (WIP) · 0c159fe3
      Hervé MENAGER authored
      Add code to embed MarvinJS editor and convert mol to smiles
      TODO: add ansible code to install MarvinJS code and license
      TODO: add ansible code to install openbabel and pybel
      
      Former-commit-id: 04e76c75250ddff1fa45ddf4f4f9277995ae75a4
      0c159fe3
    • Hervé  MENAGER's avatar
      refactor smilesDrawer component · a9a774ef
      Hervé MENAGER authored
      - id and smiles are not necessarily coming from a Compound obj.
      - add a "theme" option
      - increase line thickness a bit
      
      
      Former-commit-id: 3b59733be379a7c3e8560643e0a3c2107738eb3c
      a9a774ef
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