Gan
This module provides the QsarGanFeaturizer
class, an extension of the MolGanFeaturizer
from DeepChem,
tailored for Quantitative Structure-Activity Relationship (QSAR) applications with Generative Adversarial Networks (GAN).
It includes functionalities for processing SMILES strings into molecular representations suitable for GAN modeling.
This module also provides the QsarGan
class, an extension of the MolGan from DeepChem, tailored for QSAR applications with GAN.
It includes functionalities for training and evaluating GAN models for QSAR.
Finally, this module provides the ExtractDescriptors
class, which extracts molecular descriptors from SMILES strings using RDKit.