Commit 14cdfb43 authored by Nathan Frey's avatar Nathan Frey
Browse files

Update ps1 install and return types

parent 891c4840
Loading
Loading
Loading
Loading
+2 −2
Original line number Diff line number Diff line
@@ -60,7 +60,7 @@ class ChemicalFingerprint(Featurizer):
    -------
    feats: np.ndarray
      Vector of properties and statistics derived from chemical
      stoichiometry.
      stoichiometry. Some values may be NaN.

    """

@@ -77,7 +77,7 @@ class ChemicalFingerprint(Featurizer):
    except:
      feats = []

    return feats
    return np.array(feats)


class SineCoulombMatrix(Featurizer):
+2 −1
Original line number Diff line number Diff line
@@ -29,8 +29,9 @@ conda install -y -q -c deepchem -c rdkit -c conda-forge -c omnia `
    py-xgboost `
    rdkit `
    simdna `
    pymatgen `
    pytest `
    pytest-cov `
    flaky

pip install -U tensorflow tensorflow-probability
pip install -U matminer tensorflow tensorflow-probability