retrieve protein sequence identifiers and metadata from https://uniprot.org

CH485 - Artificial Intelligence and Chemistry

Code for "Multi-Objective De Novo Drug Design with Conditional Graph Generative Model" (https://arxiv.org/abs/1801.07299)

github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"

Tensorflow implementation of Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

graph generative model for molecule

One-Shot Learning using Nearest-Neighbor Search (NNS) and Locality-Sensitive Hashing LSH