AlogP-DL

AlogP-DL provides a high quality open-source toolkit that democratizes the use of deep-learning and new generation of machine leanring in predicting the properties of drug molecules.

Available scripts

kernal-based: SVM
ensemble learning: RF, XGBoost
deep learning: DNN, LSTM
#more tools will be added soon

Soft Requirements

DeepChem;
RDKit;
keras;
sklearn;

Command

enter the dir and then run commands as the fllowing example

python DNN/keras_regre_loss_drugbank_approved_maccskey_layer1.py