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DeepCPI: A deep learning based framework for large-scale in silico drug screening

  1. To generate features and make predictions, please unzip the embedding files and use functions provided in DeepCPI.py.

  2. Trained models that can reproduce GPCR predictions in our paper are zipped in trained_models.rar.

Requirement

Python2.7, Keras=1.2.2, Gensim=0.10.2, Tensorflow=1.2.0, RDKit

Recent Update 04/28/2020

An I/O bug was fixed.