Advancing Molecular Property Prediction through Multi-view Latent Space Fusion
- Eduardo Almeida Soares
- Akihiro Kishimoto
- et al.
- 2024
- ACS Spring 2024
Publications
88 results for Emilio Ashton Vital Brazil
MatGFN-PFAS: An AI-driven approach for toxic PFAS replacement
- Eduardo Almeida Soares
- Flaviu Cipcigan
- et al.
- 2024
- ACS Spring 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
- Eduardo Almeida Soares
- Emilio Ashton Vital Brazil
- et al.
- 2023
- NeurIPS 2023
Capturing Formulation Design of Battery Electrolytes with Chemical Large Language Model
- Eduardo Almeida Soares
- Vidushi Sharma
- et al.
- 2023
- NeurIPS 2023
A Framework for Toxic PFAS Replacement based on GFlowNet and Chemical Foundation Model
- Eduardo Almeida Soares
- Flaviu Cipcigan
- et al.
- 2023
- NeurIPS 2023
ShapeGraMM: On the fly procedural generation of massive models for real-time visualization
- Wallas H.S. Santos
- Emilio Vital Brazil
- et al.
- 2023
- Computers and Graphics (Pergamon)
Predictive Supremacy of Chemical Foundational Model for Battery Electrolytes
- Vidushi Sharma
- Eduardo Almeida Soares
- et al.
- 2023
- MRS Fall Meeting 2023
An AI-assisted Workbench for Material Discovery
- Emilio Ashton Vital Brazil
- Renato Fontoura de Gusmao Cerqueira
- et al.
- 2023
- ACS Fall 2023
Enhancing Molecular Properties Prediction through Multi-Stage Causal Feature Selection
- Eduardo Almeida Soares
- Karen Fiorella Aquino Gutierrez
- et al.
- 2023
- ACS Fall 2023