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Open-source large-scale foundation model for chemistryEduardo Almeida SoaresEmilio Ashton Vital Brazilet al.2025ACS Spring 2025
Novel LLM-powered assistant facilitating data visualization in research and educationTim ErdmannHolt Buiet 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
Comparative Study of Open-source LLMs for text classification and knowledge extraction in the Material Discovery DomainViviane T. SilvaAnaximandro Souzaet al.2025ACS Spring 2025
GMO-Mat: A foundation model-based generative multi-objective optimization framework for materials discoveryCarlos Raoni De Alencar MendesLeonardo Noia Nanci de Araujo Silvaet al.2025ACS Spring 2025
Natural Language-Driven Virtual Screening: Enhancing Drug Discovery with LLMs and Biomedical Foundation ModelsTim ErdmannHolt Buiet 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
Generative AI and Multi-Agent Systems for Polymer DesignNathaniel ParkTiffany Callahanet al.2025ACS Spring 2025