Reinforcement Learning-Driven Linker Design via Fast Attention-based Point Cloud Alignment. - Rebecca M. Neeser; Mehmet Akdel; Daniel Kovtun; Luca Naef (CoRR, 2023)

FSscore: A Machine Learning-based Synthetic Feasibility Score Leveraging Human Expertise. - Rebecca M. Neeser; Bruno Correia; Philippe Schwaller (CoRR, 2023)

Flow-Based Fragment Identification via Binding Site-Specific Latent Representations. - Rebecca M. Neeser; Ilia Igashov; Arne Schneuing; Michael M. Bronstein; Philippe Schwaller; Bruno E. Correia (CoRR, 2025)