Characterizing pre-trained and task-adapted molecular representations
- Celia Cintas
- Payel Das
- et al.
- 2023
- NeurIPS 2023
Publications
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26275 results for Science
Learning the Language of NMR: Structure Elucidation from NMR spectra using Transformer Models
- 2023
- NeurIPS 2023
Symbolic Learning for Material Discovery
- Daniel Cunnington
- Flaviu Cipcigan
- et al.
- 2023
- NeurIPS 2023
Capturing Formulation Design of Battery Electrolytes with Chemical Large Language Model
- 2023
- NeurIPS 2023
Quantum Theory and Application of Contextual Optimal Transport
- 2023
- NeurIPS 2023
Understanding Mode Connectivity via Parameter Space Symmetry
- Bo Zhao
- Nima Dehmamy
- et al.
- 2023
- NeurIPS 2023
Discovery of Novel Reticular Materials for Carbon Dioxide Capture using GFlowNets
- Flaviu Cipcigan
- Jonathan Booth
- et al.
- 2023
- NeurIPS 2023
Using Foundation Models to Promote Digitization and Reproducibility in Scientific Experimentation
- Amol Thakkar
- Andrea Giovannini
- et al.
- 2023
- NeurIPS 2023
A Framework for Toxic PFAS Replacement based on GFlowNet and Chemical Foundation Model
- 2023
- NeurIPS 2023
Sequential data-consistent model inversion
- Tim Rumbell
- Catherine Wanjiru
- et al.
- 2023
- NeurIPS 2023