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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
Multimodal Molecular Representation Learning for Small Molecule Drug Discovery - Pretraining and Early Fusion ArchitecturesPartha SuryanarayananShreyans Sethiet al.2024ACS Fall 2024
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A Multimodal Transformer Model for comprehensive Structure ElucidationMarvin AlbertsOliver Schilteret al.2024ACS Fall 2024
Dataset of Reticular Materials' Syntheses Automatically Created from PDFs by using LLMsViviane T. SilvaRodrigo Neumann Barros Ferreiraet al.2024ACS Fall 2024
Effect of dataset partitioning strategies for evaluating out-of-distribution generalisation for predictive models in biochemistryRaúl Fernández DíazLam Thanh Hoanget al.2024ACS Fall 2024
Analysis of docking for binding affinity predictionRaúl Fernández DíazDenis Shieldset al.2024ACS Fall 2024
Advanced Learning for Chemistry Interpretation and Integrated MoleculeEmilio Ashton Vital BrazilEduardo Almeida Soareset al.2024ACS Fall 2024