Publications

608 results for Accelerated Discovery

Quantum Theory and Application of Contextual Optimal Transport
- - Nicola Mariella
  - Jannis Born
  - et al.
- 2023
- NeurIPS 2023
Capturing Formulation Design of Battery Electrolytes with Chemical Large Language Model
- - Eduardo Almeida Soares
  - Vidushi Sharma
  - et al.
- 2023
- NeurIPS 2023
Learning the Language of NMR: Structure Elucidation from NMR spectra using Transformer Models
- - Marvin Alberts
  - Federico Zipoli
  - et al.
- 2023
- NeurIPS 2023
Machine learning derived sub-seasonal to seasonal extremes
- - Daniel Salles Civitarese
  - Bianca Zadrozny
- 2023
- NeurIPS 2023
Using Foundation Models to Promote Digitization and Reproducibility in Scientific Experimentation
- - Amol Thakkar
  - Andrea Giovannini
  - et al.
- 2023
- NeurIPS 2023
MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network
- - Akihiro Kishimoto
  - Hiroshi Kajino
  - et al.
- 2023
- NeurIPS 2023
A Framework for Toxic PFAS Replacement based on GFlowNet and Chemical Foundation Model
- - Eduardo Almeida Soares
  - Flaviu Cipcigan
  - et al.
- 2023
- NeurIPS 2023
Symbolic Learning for Material Discovery
- - Daniel Cunnington
  - Flaviu Cipcigan
  - et al.
- 2023
- NeurIPS 2023
Beyond Chemical Language: A Multimodal Approach to Enhance Molecular Property Prediction
- - Eduardo Almeida Soares
  - Emilio Ashton Vital Brazil
  - et al.
- 2023
- NeurIPS 2023
Language models in molecular discovery
- - Nikita Janakarajan
  - Tim Erdmann
  - et al.
- 2023
- NeurIPS 2023