GP-MoLFormer: a foundation model for molecular generation
- Jerret Ross
- Brian Belgodere
- et al.
- 2025
- Digital Discovery
Paper
Publications
82 results for Payel Das
Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond
- Kehan Guo
- Yili Shen
- et al.
- 2025
- IJCAI 2025
Conference paperProperty-driven localization and characterization in deep molecular representations
- Celia Cintas
- Payel Das
- et al.
- 2025
- Nature Scientific Reports
PaperEpMAN: Episodic Memory AttentioN for Generalizing to Longer Contexts
- Subhajit Chaudhury
- Payel Das
- et al.
- 2025
- ACL 2025
Conference paperCombining Domain and Alignment Vectors Provides Better Knowledge-Safety Trade-offs in LLMs
- Megh Thakkar
- Quentin Fournier
- et al.
- 2025
- ACL 2025
Conference paperAlphaFold distillation for inverse protein design
- Igor Melnyk
- Aurélie Lozano
- et al.
- 2025
- Scientific Reports
PaperReprogramming pretrained language models for protein sequence representation learning
- Ria Vinod
- Pin-Yu Chen
- et al.
- 2025
- Digital Discovery
PaperImproving structural plausibility in diffusion-based 3D molecule generation via property-conditioned training with distorted molecules
- Lucy Vost
- Vijil Chenthamarakshan
- et al.
- 2025
- Digital Discovery
PaperBoundary Exploration for Bayesian Optimization With Unknown Physical Constraints
- Yunsheng Tian
- Ane Zuniga
- et al.
- 2024
- ICML 2024
Conference paperAcceleration of Graph Neural Network-Based Prediction Models in Chemistry via Co-Design Optimization on Intelligence Processing Units
- Hatem Helal
- Jesun Firoz
- et al.
- 2024
- J. Chem. Inf. Model.
Paper