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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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