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Fine-tuning of Geospatial Foundation Models for Aboveground Biomass EstimationMichal MuszynskiLevente Kleinet al.2024KDD 2024
Leveraging Chemistry Foundation Models to Facilitate Structure Focused Retrieval Augmented Generation in Multi-Agent Workflows for Catalyst and Materials DesignNathaniel ParkTiffany Callahanet al.2024arXiv
Surface reaction calculations with quantum computers for battery materialsMarco Antonio Guimaraes Auad BarrocaRodrigo Neumann Barros Ferreiraet al.2024ACS Fall 2024
MoLMamba: A Large State-Space-based Foundation Model for ChemistryEduardo Almeida SoaresVictor Shirasunaet al.2024ACS Fall 2024
Harnessing negative data for enhancing model learning in chemistryAlessandra ToniatoMara Grazianiet al.2024ACS Fall 2024
Towards accelerating small molecule drug discovery with pre-trained, late fusion multi-view modelsJoseph MorroneDiwakar Mahajanet al.2024ACS Fall 2024
In-situ characterization of metal-organic frameworks: A combined DFT and micro-Raman spectroscopy approachMatheus Esteves FerreiraGeisa Limaet al.2024ACS Fall 2024
Multimodal Molecular Representation Learning for Small Molecule Drug Discovery - Pretraining and Early Fusion ArchitecturesPartha SuryanarayananShreyans Sethiet al.2024ACS Fall 2024