Esempio n. 1
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 def calculate_hashed_fps_binary_quick(self, nBits):
     # bit format
     self.fps_hashed_binary_quick = _asarray([
         _GetMorganFingerprintAsBitVect(x,
                                        radius=self.max_radius,
                                        nBits=nBits) for x in self.mols
     ])
Esempio n. 2
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 def calculate_hashed_fps_binary_quick(self,nBits):
     # bit format
     self.fps_hashed_binary_quick = _asarray([_GetMorganFingerprintAsBitVect(x,radius=self.max_radius,nBits=nBits) for x in self.mols])