Loading deepchem/feat/atomic_coordinates.py +1 −0 Original line number Diff line number Diff line Loading @@ -191,6 +191,7 @@ class ComplexNeighborListFragmentAtomicCoordinates(ComplexFeaturizer): """This class computes the featurization that corresponds to AtomicConvModel. This class computes featurizations needed for AtomicConvModel. Given a two molecular structures, it computes a number of useful geometric features. """ def __init__(self, frag1_num_atoms, Loading Loading
deepchem/feat/atomic_coordinates.py +1 −0 Original line number Diff line number Diff line Loading @@ -191,6 +191,7 @@ class ComplexNeighborListFragmentAtomicCoordinates(ComplexFeaturizer): """This class computes the featurization that corresponds to AtomicConvModel. This class computes featurizations needed for AtomicConvModel. Given a two molecular structures, it computes a number of useful geometric features. """ def __init__(self, frag1_num_atoms, Loading
