GP-MoLFormer: a foundation model for molecular generation
- Jerret Ross
- Brian Belgodere
- et al.
- 2025
- Digital Discovery
Publications
29 results for Vijil Chenthamarakshan
Property-driven localization and characterization in deep molecular representations
- Celia Cintas
- Payel Das
- et al.
- 2025
- Nature Scientific Reports
AlphaFold distillation for inverse protein design
- Igor Melnyk
- Aurélie Lozano
- et al.
- 2025
- Scientific Reports
Improving structural plausibility in diffusion-based 3D molecule generation via property-conditioned training with distorted molecules
- Lucy Vost
- Vijil Chenthamarakshan
- et al.
- 2025
- Digital Discovery
Reprogramming Pretrained Language Models for Antibody Sequence Infilling
- Igor Melnyk
- Vijil Chenthamarakshan
- et al.
- 2023
- ICML 2023
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