Parm@Frosst atom typed verson of Caitlin's processed DrugBank.sdf. Had to OEAddExplicitHydrogens and also did OETriposAtomNames in case mol2 files are generated. DrugBank input file is nasty with all atoms in the plane so some stereoisomer issues with H adding but for atom-type purposes is OK. Many instances of "untyped" atom type "gg" e.g. for metals. Caveat Emptor.
Parm@Frosst atom typed verson of Caitlin's processed DrugBank.sdf. Had to OEAddExplicitHydrogens and also did OETriposAtomNames in case mol2 files are generated. DrugBank input file is nasty with all atoms in the plane so some stereoisomer issues with H adding but for atom-type purposes is OK. Many instances of "untyped" atom type "gg" e.g. for metals. Caveat Emptor.

open-forcefield-group/smarty,open-forcefield-group/smarty,open-forcefield-group/smarty