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Posters

Morning Session (10:40 - 11:40 am)
Board
Poster
Poster
A
1. Structure-Independent Peptide Binder Design via Generative Language Models by Pranam Chatterjee
2. Generative AI for designing easily synthesizable antibiotics by Kyle Swanson
B
3. Deep learning-guided discovery of a narrow-spectrum antibacterial molecule against Acinetobacter baumannii by Gary Liu
4. Von Mises Mixture Distributions for Molecular Conformation Generation by Kirk Swanson
C
5. Structure-aware protein self-supervised learning by Can Chen
6. Comprehensive Study On The Applicability of Machine Learning Methods for Covalent Activity Prediction by Victor Hugo Cano Gil
D
7. Machine Learning Predicts Blue Emission from OLEDs: Ensemble Learning on Small, Heterogeneous Datasets based on a Benzobisoxazole Core by Shambhavi Tannir
8. Probing Graph Representations by Mohammad Sadegh Akhondzadeh
E
9. Predicting Activity Cliffs by Contrasting Domain Knowledge Views of Molecular Graphs by Ghaith Mqawass
10. Goal-conditioned GFlownets for Controllable Multi-Objective Molecular Design by Julien Roy
F
11. GPS++: Reviving the Art of Message Passing for Molecular Property Prediction by Graphcore
12. datamol: Molecular Processing Made Easy by Emmanuel Noutahi
Afternoon Session (3:00 - 4:00 pm)
Board
Poster
Poster
A
13. Discrete denoising diffusion models for molecular graph generation - speed vs accuracy by Sourjya Sarkar
14. DiffDock does not outperform DOCK at the DUDE-Z retrospective decoy discrimination task by Jose Miguel I Limcaoco
B
15. Importance Weighted Variational Bayes for Protein Sequence Design by Zhenqiao Song
16. CLAIRify: Generating chemistry experiment plans from natural language inputs by Marta Skreta
C
17. Comparing Three PROTAC Virtual Screening Tools for Accurate Prediction and Screening Efficacy by Evianne Rovers
18. Siamese Graph Neural Networks for Drug Discovery by Muhammad Maaz
D
19. FAENet: Frame Averaging Equivariant GNN for Materials Modeling by Alexandre Duval
20. MoDTI: Modular Framework for Evaluating Inductive Biases in DTI Modeling by Roy Henha Eyono
E
21. Powering Graph Transformers via Pre-trained Graph Positional and Structural Encoder by Renming Liu
22. Denoising diffusion for 3D structure determination from isotopologue rotational spectroscopy in natural abundance by Austin H Cheng
F
23. Repurposing Density Functional Theory to Suit Deep Learning by Graphcore
24. molfeat: an Open-Source Hub of Molecular Featurizers by Emmanuel Noutahi
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