Commit e4f7a246 authored by miaecle's avatar miaecle
Browse files

update performance table

parent 614d8a3c

README.md

+282 −227

File changed.

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deepchem/molnet/load_function/qm9_datasets.py

+2 −2
Original line number Diff line number Diff line
@@ -51,9 +51,9 @@ def load_qm9(featurizer='CoulombMatrix', split='random', reload=True): 


  if featurizer in ['CoulombMatrix', 'BPSymmetryFunction', 'MP', 'Raw']:

    if featurizer == 'CoulombMatrix':

      featurizer = deepchem.feat.CoulombMatrix(26)

      featurizer = deepchem.feat.CoulombMatrix(29)

    elif featurizer == 'BPSymmetryFunction':

      featurizer = deepchem.feat.BPSymmetryFunction(26)

      featurizer = deepchem.feat.BPSymmetryFunction(29)

    elif featurizer == 'Raw':

      featurizer = deepchem.feat.RawFeaturizer()

    elif featurizer == 'MP':

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