Regression Transformer: Concurrent Conditional Generation and Regression by Blending Numerical and Textual Tokens
- 2022
- ICLR 2022
Publications
Date
Featured collections
Popular topics
- Materials Discovery
3431 results for Materials Discovery
Prediction of CO2 Adsorption in Nano-Pores with Graph Neural Networks
- GUOJING CONG
- Anshul Gupta
- et al.
- 2022
- AAAI 2022
Characterizing the Latent Space of Molecular Deep Generative Models with Persistent Homology Metrics
- Yair Schiff
- Payel Das
- et al.
- 2020
- NeurIPS 2020
Completion of partial reaction equations
- Alain Vaucher
- Philippe Schwaller
- et al.
- 2020
- NeurIPS 2020
Reprogramming Language Models for Molecular Representation Learning
- Ria Vinod
- Pin-Yu Chen
- et al.
- 2020
- NeurIPS 2020
Data augmentation strategies to improve reaction yield predictions and estimate uncertainty
- Philippe Schwaller
- Alain Vaucher
- et al.
- 2020
- NeurIPS 2020
Nano-Material Configuration Design with Deep Surrogate Langevin Dynamics
- Thanh V. Nguyen
- Youssef Mroueh
- et al.
- 2020
- ICLR 2020
A Large Encoder-Decoder Polymer-Based Foundation Model
- 2024
- NeurIPS 2024
A Mamba-Based Foundation Model for Chemistry
- 2024
- NeurIPS 2024
Multi-View Mixture-of-Experts for Predicting Molecular Properties Using SMILES, SELFIES, and Graph-Based Representations
- 2024
- NeurIPS 2024