Neeser, Rebecca Manuela

4 publications

ICLRW 2025 Flow-Based Fragment Identification via Contrastive Learning of Binding Site-Specific Latent Representations Rebecca Manuela Neeser, Ilia Igashov, Arne Schneuing, Michael M. Bronstein, Philippe Schwaller, Bruno Correia

ICLRW 2025 Large Drug Discovery Model Ilia Igashov, Arne Schneuing, Adrian W. Dobbelstein, Irina Morozova, Rebecca Manuela Neeser, Evgenia Elizarova, Philippe Schwaller, Michael M. Bronstein, Bruno Correia

NeurIPSW 2023 FSscore: A Machine Learning-Based Synthetic Feasibility Score Leveraging Human Expertise Rebecca Manuela Neeser, Bruno Correia, Philippe Schwaller

ICMLW 2023 Reinforcement Learning-Driven Linker Design via Fast Attention-Based Point Cloud Alignment Rebecca Manuela Neeser, Mehmet Akdel, Daniel Kovtun, Luca Naef