Development and use of a software platform applied towards the automated synthesis of carbonate monomers and machine learning applications
- Pedro Arrechea
- James Hedrick
- et al.
- 2022
- ACS Spring 2022
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50 results for Dmitry Zubarev
Toward Human-AI Co-creation to Accelerate Material Discovery
- Dmitry Zubarev
- Carlos Raoni De Alencar Mendes
- et al.
- 2022
- NeurIPS 2022
A Mamba-Based Foundation Model for Chemistry
- 2024
- NeurIPS 2024
Agnostic Causality-Driven Enhancement of Chemical Foundation Models on Downstream Tasks
- 2024
- NeurIPS 2024
Compositional Communication with LLMs and Reasoning about Chemical Structures
- Dmitry Zubarev
- Sarath Swaminathan
- 2024
- NeurIPS 2024
Beyond Chemical Language: A Multimodal Approach to Enhance Molecular Property Prediction
- 2023
- NeurIPS 2023
A Framework for Toxic PFAS Replacement based on GFlowNet and Chemical Foundation Model
- 2023
- NeurIPS 2023
PGT: a prompt based generative transformer for the patent domain
- Dimitrios Christofidellis
- Antonio Berrios Torres
- et al.
- 2022
- ICML 2022
Sample-efficient Generation of Novel Photo-acid Generator Molecules using a Deep Generative Model
- Samuel Hoffman
- Vijil Vijil
- et al.
- 2021
- NeurIPS 2021
Reinforcement Learning with Logical Action-Aware Features for Polymer Discovery
- Sarathkrishna Swaminathan
- Dmitry Zubarev
- et al.
- 2021
- ICML 2021