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Multiple bug fixes

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@wittregr wittregr released this 21 Sep 19:36
· 25 commits to master since this release
  • Corrected error in BensonGA database where group enthalpy contribution was 0.
  • Updated maxMatches for RDKit GetSubstructureMatches to allow parsing of larger molecules. maxMatches updated from RDKit default of 1000 to 10000.