Generative models with MolScore integrated

This repository provides examples of generative models that natively integrate MolScore (e.g., SMILES-RNN) or, adaptations to models to integrate MolScore.

Installation

Some models here are installed as git submodules to allow dynamic updates as they are developed. To clone everything use:

git clone --recurse-submodules https://github.com/MorganCThomas/MolScore_examples.git

Usage

For further use cases, refer to each models subdirectory.