Reprogramming Pretrained Language Models for Antibody Sequence Infilling
- Igor Melnyk
- Vijil Chenthamarakshan
- et al.
- 2023
- ICML 2023
Publications
25 results for Vijil Chenthamarakshan
An end-to-end deep learning framework for translating mass spectra to de-novo molecules
- Eleni E. Litsa
- Vijil Chenthamarakshan
- et al.
- 2023
- Communications Chemistry
Accelerating drug target inhibitor discovery with a deep generative foundation model
- Vijil Chenthamarakshan
- Samuel C. Hoffman
- et al.
- 2023
- Science Advances
A 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.
Accelerating material design with the generative toolkit for scientific discovery
- Matteo Manica
- Jannis Born
- et al.
- 2023
- npj Computational Materials
Accurate clinical toxicity prediction using multi-task deep neural nets and contrastive molecular explanations
- Bhanushee Sharma
- Vijil Chenthamarakshan
- et al.
- 2023
- Scientific Reports
Large-scale chemical language representations capture molecular structure and properties
- Jerret Ross
- Brian Belgodere
- et al.
- 2022
- Nature Machine Intelligence
Augmenting Molecular Deep Generative Models with Topological Data Analysis Representations
- Yair Schiff
- Vijil Chenthamarakshan
- et al.
- 2022
- ICASSP 2022
Optimizing molecules using efficient queries from property evaluations
- Samuel C. Hoffman
- Vijil Chenthamarakshan
- et al.
- 2021
- Nature Machine Intelligence
Accelerated antimicrobial discovery via deep generative models and molecular dynamics simulations
- Payel Das
- Tom Sercu
- et al.
- 2021
- Nature Biomedical Engineering