Anniversary AI reflections
- Noelia Ferruz
- Marinka Zitnik
- et al.
- 2024
- Nature Machine Intelligence
Paper
Publications
82 results for Payel Das
Reprogramming Pretrained Language Models for Antibody Sequence Infilling
- Igor Melnyk
- Vijil Chenthamarakshan
- et al.
- 2023
- ICML 2023
Conference paperHierarchical Grammar-Induced Geometry for Data-Efficient Molecular Property Prediction
- Minghao Guo
- Veronika Thost
- et al.
- 2023
- ICML 2023
Conference paperAn end-to-end deep learning framework for translating mass spectra to de-novo molecules
- Eleni E. Litsa
- Vijil Chenthamarakshan
- et al.
- 2023
- Communications Chemistry
PaperDirection Aware Positional and Structural Encoding for Directed Graph Neural Networks
- Yonas Sium
- Georgios Kollias
- et al.
- 2023
- ICASSP 2023
Conference paperAccelerating drug target inhibitor discovery with a deep generative foundation model
- Vijil Chenthamarakshan
- Samuel C. Hoffman
- et al.
- 2023
- Science Advances
PaperA Small Step Toward Generalizability: Training a Machine Learning Scoring Function for Structure-Based Virtual Screening
- Jack Scantlebury
- Lucy Vost
- et al.
- 2023
- J. Chem. Inf. Model.
PaperAccelerating material design with the generative toolkit for scientific discovery
- Matteo Manica
- Jannis Born
- et al.
- 2023
- npj Computational Materials
PaperAccurate clinical toxicity prediction using multi-task deep neural nets and contrastive molecular explanations
- Bhanushee Sharma
- Vijil Chenthamarakshan
- et al.
- 2023
- Scientific Reports
PaperLarge-scale chemical language representations capture molecular structure and properties
- Jerret Ross
- Brian Belgodere
- et al.
- 2022
- Nature Machine Intelligence
Paper