1 code implementation • 24 Jan 2022 • Egbert Castro, Abhinav Godavarthi, Julian Rubinfien, Kevin B. Givechian, Dhananjay Bhaskar, Smita Krishnaswamy
Using ReLSO, we explicitly model the sequence-function landscape of large labeled datasets and generate new molecules by optimizing within the latent space using gradient-based methods.
2 code implementations • 12 Jun 2020 • Egbert Castro, Andrew Benz, Alexander Tong, Guy Wolf, Smita Krishnaswamy
We propose a geometric scattering autoencoder (GSAE) network for learning such graph embeddings.
