Benchmarking deep generative models for diverse antibody sequence designIgor MelnykPayel Daset al.2021NeurIPS 2021
Sample-efficient Generation of Novel Photo-acid Generator Molecules using a Deep Generative ModelSamuel HoffmanVijil Vijilet al.2021NeurIPS 2021
Accurate Multi-Endpoint Molecular Toxicity Predictions in Humans with Contrastive ExplanationsBhanushee SharmaVijil Vijilet al.2021NeurIPS 2021