About the CoulombMatrix

Matminer
1

Dear there

When I use CoulombMatrix to generate the features, all the features are included in one column, how to fix it, thanks.

best wishes
Xiao

2

Pass the flatten=True option when instantiating the CoulombMatrix featurizer. This is only present in new matminer versions. This will take the eigenvalues of the full coulombmatrix. For the full coulombmatrix, pass flatten=False in. This will put the matrix all in one column.

Thanks,
Alex