SMI-TED: A large-scale foundation model for materials and chemistry
- 2025
- ICLR 2025
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32 results for Eduardo Soares
Modeling electron density grids using a 3D VQ-GAN approach
- Dmitry Zubarev
- Emilio Ashton Vital Brazil
- et al.
- 2025
- ACS Spring 2025
Multimodal foundation model for aligning smiles representations with DFT electron density grids
- 2025
- ACS Spring 2025
Open-source large-scale foundation model for chemistry
- 2025
- ACS Spring 2025
Mol-Moe: A multi-view mixture-of-experts framework for molecular property prediction with SMILES, SELFIES, and graph representations
- 2025
- ACS Spring 2025
GMO-Mat: A foundation model-based generative multi-objective optimization framework for materials discovery
- Carlos Raoni De Alencar Mendes
- Leonardo Noia Nanci de Araujo Silva
- et al.
- 2025
- ACS Spring 2025
Uncertainty Analysis of Molecular Quantum Properties Prediction Using Chemical Foundation Models
- 2025
- ACS Spring 2025
Uncertainty Analysis in Predicting Molecular Properties Using Chemical Foundation Models
- 2025
- AAAI 2025
SELF-BART : A Transformer-based Molecular Representation Model using SELFIES
- 2024
- NeurIPS 2024
Multi-View Mixture-of-Experts for Predicting Molecular Properties Using SMILES, SELFIES, and Graph-Based Representations
- 2024
- NeurIPS 2024