Pre-Training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction
- Zuobai Zhang
- Minghao Xu
- et al.
- 2023
- NeurIPS 2023
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507 results for Accelerated Discovery
Machine learning derived sub-seasonal to seasonal extremes
- 2023
- NeurIPS 2023
MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network
- Akihiro Kishimoto
- Hiroshi Kajino
- et al.
- 2023
- NeurIPS 2023
Learning the Language of NMR: Structure Elucidation from NMR spectra using Transformer Models
- 2023
- NeurIPS 2023
Beyond Chemical Language: A Multimodal Approach to Enhance Molecular Property Prediction
- 2023
- NeurIPS 2023
Using Foundation Models to Promote Digitization and Reproducibility in Scientific Experimentation
- Amol Thakkar
- Andrea Giovannini
- et al.
- 2023
- NeurIPS 2023
Language models in molecular discovery
- 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
Coarse-graining via reparametrization avoids force matching and back-mapping
- Nima Dehmamy
- Csaba Both
- et al.
- 2023
- NeurIPS 2023