SMI-TED: A large-scale foundation model for materials and chemistryEduardo Almeida SoaresEmilio Ashton Vital Brazilet al.2025ICLR 2025
Open-source large-scale foundation model for chemistryEduardo Almeida SoaresEmilio Ashton Vital Brazilet al.2025ACS Spring 2025
Mol-Moe: A multi-view mixture-of-experts framework for molecular property prediction with SMILES, SELFIES, and graph representationsVictor Yukio ShirasunaEmilio Ashton Vital Brazilet al.2025ACS Spring 2025
Multimodal foundation model for aligning smiles representations with DFT electron density gridsEmilio Ashton Vital BrazilEduardo Almeida Soareset al.2025ACS Spring 2025
Modeling electron density grids using a 3D VQ-GAN approachDmitry ZubarevEmilio Ashton Vital Brazilet al.2025ACS Spring 2025