Utils for protein-ligand complexes

Utilities in DGL-LifeSci for working with protein-ligand complexes.

dgllife.utils.ACNN_graph_construction_and_featurization(…)

Graph construction and featurization for Atomic Convolutional Networks for Predicting Protein-Ligand Binding Affinity.

dgllife.utils.PN_graph_construction_and_featurization(…)

Graph construction and featurization for `PotentialNet for Molecular Property Prediction