Learning the Language of NMR: Structure Elucidation from NMR spectra using Transformer Models
- 2023
- NeurIPS 2023
Publications
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- Materials Discovery
3488 results for Materials Discovery
Coarse-graining via reparametrization avoids force matching and back-mapping
- Nima Dehmamy
- Csaba Both
- 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
Characterizing pre-trained and task-adapted molecular representations
- Celia Cintas
- Payel Das
- et al.
- 2023
- NeurIPS 2023
Ferroelectric Hafnia Superlattices for Bio-Inspired Computing
- Laura Bégon-Lours
- Elisabetta Morabito
- et al.
- 2023
- MRS Fall Meeting 2023
In-silico Polymer Generation using fine-tuned Regression Transformers with Open Reference Data
- Ronaldo Giro
- Hsiang Han Hsu
- et al.
- 2023
- MRS Fall Meeting 2023
Multi-Modal Foundation Model for Material Discovery with Conversational User Interface
- Seiji Takeda
- Akihiro Kishimoto
- et al.
- 2023
- MRS Fall Meeting 2023
Pre-Treatment Methods for Machine Learning in Finer UV Spectrum Inference
- 2023
- MRS Fall Meeting 2023
Enzeptional: enzyme optimization via a generative language modeling-based evolutionary algorithm
- Yves Gaetan Nana Teukam
- Federico Zipoli
- et al.
- 2023
- MRS Fall Meeting 2023