gt4sd.algorithms.conditional_generation.guacamol package

GuacaMol initialization.

Submodules:

• gt4sd.algorithms.conditional_generation.guacamol.core module

Subpackages:

• gt4sd.algorithms.conditional_generation.guacamol.implementation package

Summary

__all__ Classes:

AaeGenerator	Configuration to generate molecules using an adversarial autoencoder.
GraphGAGenerator	Configuration to generate optimizied molecules using Graph-Based Genetic algorithm
GraphMCTSGenerator	Configuration to generate optimizied molecules using Graph-based Genetic Algorithm and Generative Model/Monte Carlo Tree Search for the Exploration of Chemical Space
GuacaMolGenerator	GuacaMol generation algorithm.
MosesGenerator	Moses generation algorithm.
OrganGenerator	Configuration to generate molecules using Objective-Reinforced Generative Adversarial Network
SMILESGAGenerator	Configuration to generate optimizied molecules using SMILES Genetic algorithm
SMILESLSTMHCGenerator	Configuration to generate optimized molecules using recurrent neural networks with hill climbing algorithm.
SMILESLSTMPPOGenerator	Configuration to generate optimizied molecules using recurrent neural networks with hill climbing algorithm
VaeGenerator	Configuration to generate molecules using a variational autoencoder.