Toward Human-AI Co-creation to Accelerate Material Discovery
- Dmitry Zubarev
- Carlos Raoni De Alencar Mendes
- et al.
- 2022
- NeurIPS 2022
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90 results for Renato Cerqueira
A Mamba-Based Foundation Model for Chemistry
- 2024
- NeurIPS 2024
Agnostic Causality-Driven Enhancement of Chemical Foundation Models on Downstream Tasks
- 2024
- NeurIPS 2024
A Multi-View Mixture-of-Experts based on Language and Graphs for Molecular Properties Prediction
- 2024
- ICML 2024
A Multi-View approach based on Graphs and Chemical Language Foundation Model for Molecular Properties Prediction
- Eduardo Almeida Soares
- Akihiro Kishimoto
- et al.
- 2024
- AAAI 2024
Beyond Chemical Language: A Multimodal Approach to Enhance Molecular Property Prediction
- 2023
- NeurIPS 2023
Capturing Formulation Design of Battery Electrolytes with Chemical Large Language Model
- 2023
- NeurIPS 2023
Position Paper on Dataset Engineering to Accelerate Science
- 2023
- AAAI 2023
Knowledge-augmented Risk Assessment (KaRA): a hybrid-intelligence framework for supporting knowledge-intensive risk assessment of prospect candidate
- Carlos Raoni De Alencar Mendes
- Emilio Ashton Vital Brazil
- et al.
- 2023
- AAAI 2023
MoLMamba: A Large State-Space-based Foundation Model for Chemistry
- 2024
- ACS Fall 2024