Large-scale chemical language representations capture molecular structure and properties
- Jerret Ross
- Brian Belgodere
- et al.
- 2022
- Nature Machine Intelligence
Paper
Publications
29 results for Vijil Chenthamarakshan
Augmenting Molecular Deep Generative Models with Topological Data Analysis Representations
- Yair Schiff
- Vijil Chenthamarakshan
- et al.
- 2022
- ICASSP 2022
Conference paperOptimizing molecules using efficient queries from property evaluations
- Samuel C. Hoffman
- Vijil Chenthamarakshan
- et al.
- 2021
- Nature Machine Intelligence
PaperAccelerated antimicrobial discovery via deep generative models and molecular dynamics simulations
- Payel Das
- Tom Sercu
- et al.
- 2021
- Nature Biomedical Engineering
PaperFairness GAN: Generating datasets with fairness properties using a generative adversarial network
- 2019
- IBM J. Res. Dev
PaperInteractive Visual Exploration of Latent Space (IVELS) for peptide auto-encoder model selection
- Tom Sercu
- Sebastian Gehrmann
- et al.
- 2019
- DGS@ICLR Workshop 2019
Conference paperA sequential set generation method for predicting set-valued outputs
- Tian Gao
- Jie Chen
- et al.
- 2019
- AAAI 2019
Conference paperA cognitive assistant for risk identification and modeling
- Dharmashankar Subramanian
- Debarun Bhattacharjya
- et al.
- 2017
- Big Data 2017
Conference paperPredicting employee expertise for talent management in the enterprise
- Kush R. Varshney
- Vijil Chenthamarakshan
- et al.
- 2014
- KDD 2014
Conference paperAmplifying the voice of youth in Africa via text analytics
- Prem Melville
- Vijil Chenthamarakshan
- et al.
- 2013
- KDD 2013
Conference paper