For applicability, check SSnet_in_Action
SSnet
SSnet - Secondary Structure based End-to-End Learning model for Protein-Ligand Interaction Prediction
Training
ECF is the morgan fingerprint for ligands (more details in the paper).
GNN is graph based neural network for ligands.
Click into corresponding directory and read the description in README.md file for further processing
For dependencies check requirements.txt
Cite as
Verma, N.; Qu, X.; Trozzi, F.; Elsaied, M.; Karki, N.; Tao, Y.; Zoltowski, B.; Larson, E.C.; Kraka, E. SSnet: A Deep Learning Approach for Protein-Ligand Interaction Prediction. Int. J. Mol. Sci. 2021, 22, 1392. https://doi.org/10.3390/ijms22031392