OXtal: An All-Atom Diffusion Model for Organic Crystal Structure Prediction
Also presented as Oral at Organic Solid-State Chemistry: Advances From Structures To Properties Symposium @ Pacifichem 2025.
Apr 24, 2026
Homomorphism Counts as Structural Encodings for Graph Learning
Also presented at AIDrugX Workshop @ NeurIPS 2024.
Apr 25, 2025
Homomorphism Counts for Graph Neural Networks: All About That Basis
Jul 21, 2024