Publications

This is our catalog of recent publications authored by IBM researchers, in collaboration with the global research community. We’re currently adding our back catalog of more than 110,000 publications. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.

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25 results for Payel Das

Consistent Training via Energy-Based GFlowNets for Modeling Discrete Joint Distributions
- - Chanakya Ekbote
  - Moksh Jain
  - et al.
- 2022
- NeurIPS 2022
Reducing Down(stream)time: Pretraining Molecular GNNs using Heterogeneous AI Accelerators
- - Jenna Bilbrey
  - Kristina Herman
  - et al.
- 2022
- NeurIPS 2022
Protein Representation Learning by Geometric Structure Pretraining
- - Zuobai Zhang
  - Minghao Xu
  - et al.
- 2022
- ICML 2022
Benchmarking deep generative models for diverse antibody sequence design
- - Igor Melnyk
  - Payel Das
  - et al.
- 2021
- NeurIPS 2021
Grapher: Multi-Stage Knowledge Graph Construction using Pretrained Language Models
- - Igor Melnyk
  - Pierre Dognin
  - 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
Accurate Multi-Endpoint Molecular Toxicity Predictions in Humans with Contrastive Explanations
- - Bhanushee Sharma
  - Vijil Vijil
  - et al.
- 2021
- NeurIPS 2021
Leveraging Adversarial Reprogramming for Novel Structure-constrained Protein Sequence Design
- - Devleena Das
  - Inkit Padhi
  - et al.
- 2021
- NeurIPS 2021
Accelerating material design with the generative toolkit for scientific discovery
- - Matteo Manica
  - Jannis Born
  - et al.
- 2023
- npj Computational Materials
Large-scale chemical language representations capture molecular structure and properties
- - Jerret Ross
  - Brian Belgodere
  - et al.
- 2022
- Nature Machine Intelligence