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cs.LG2026
Quantitative Assessment of Crystal Structure Prediction
Sergio Rincón, Gabriel González, Nicolás Andrade +6
Crystal Structure Prediction (CSP) aims to predict a material's 3D structure from its chemical composition, with applications from energy storage to biomedical devices. Despite its…
cs.LG2025
A Standardized Benchmark for Multilabel Antimicrobial Peptide Classification
Sebastian Ojeda, Rafael Velasquez, Nicolás Aparicio +7
Antimicrobial peptides have emerged as promising molecules to combat antimicrobial resistance. However, fragmented datasets, inconsistent annotations, and the lack of standardized…