← authors · overview

• Generating 3D Molecular Structures Conditional on a Receptor Binding Site with Deep Generative Models
  2020 · 27 citations
• Ligand Pose Optimization with Atomic Grid-Based Convolutional Neural Networks
  2017 · 15 citations
• Learning a Continuous Representation of 3D Molecular Structures with Deep Generative Models
  2020 · 11 citations
• Accelerating Inference in Molecular Diffusion Models with Latent Representations of Protein Structure
  2023 · 3 citations
• Mixed Continuous and Categorical Flow Matching for 3D De Novo Molecule Generation
  2024 · 1 citations
• Scalable Inference-Time Annealing with Surrogate Likelihood Estimators
  2026
• libmolgrid: GPU Accelerated Molecular Gridding for Deep Learning Applications
  2019
• SidechainNet: An All-Atom Protein Structure Dataset for Machine Learning
  2020
• Generating 3D Molecules Conditional on Receptor Binding Sites with Deep Generative Models
  2021