Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- Matteo Manica
- Joris Cadow
- et al.
- 2022
- ACS Fall 2022
Publications
15 results for Vijil Vijil
Protein Representation Learning by Geometric Structure Pretraining
- Zuobai Zhang
- Minghao Xu
- et al.
- 2022
- ICML 2022
Accurate Multi-Endpoint Molecular Toxicity Predictions in Humans with Contrastive Explanations
- Bhanushee Sharma
- Vijil Vijil
- et al.
- 2021
- NeurIPS 2021
Sample-efficient Generation of Novel Photo-acid Generator Molecules using a Deep Generative Model
- Samuel Hoffman
- Vijil Vijil
- et al.
- 2021
- NeurIPS 2021
Benchmarking deep generative models for diverse antibody sequence design
- Igor Melnyk
- Payel Das
- et al.
- 2021
- NeurIPS 2021