Awesome

conditional-molecular-design-ssvae

The code for the model described in the paper "Conditional molecular design with deep generative models".

TensorFlow 2.0+ implementation is available here.

Components

• run.py : main script
• SSVAE.py - model architecture
• preprocessing.py - functions for preprocessing

Dependencies

• TensorFlow
• NumPy
• RDKit
• scikit-learn