Modelos que aprenden el lenguaje de las moléculas y cómo utilizarlos para predecir sus propiedades
Presented at Conferencia en Señalización Celullar en Alcalá de Henares (SECUAH) [Keynote], Alcala de Henares, Spain,
Talks and presentations
See a map of all the places I've given a talk!
Keynote
Talk
Evaluation of partitioning algorithms for trustworthy out-of-distribution evaluation of machine learning models in biochemistry.
Presented at Virtual Institute for Bioinformatics and Evolution [Short Talk], Dublin, Ireland,
Partitioning, representation, and automation in canonical and non-canonical peptide modelling
Presented at Peptide Computational Methods And Applications Workshop [Talk], Dublin, Ireland,
How to generalize machine learning models to both canonical and non-canonical peptides
Presented at American Chemical Society (ACS) Fall Meeting 2025 [Talk], Washington DC, US,
AutoPeptideML2: An open-source library for democratising machine learning for peptide bioactivity prediction.
Presented at Intelligent Systems for Molecular Biology (ISMB) 2025 [Talk], Liverpool, UK,
AutoPeptideML: automated machine learning for building peptide bioactivity predictors leveraging protein language models
Presented at Irish Computational Biology and Genomics Symposium [Talk] 2023, Galway, Ireland,
Poster
AutoPeptideML2: An open-source library for democratising machine learning for peptide bioactivity prediction.
Presented at Intelligent Systems for Molecular Biology (ISMB) 2025 [Poster], Liverpool, UK,
A new framework for evaluating model out-of-distribution generalization for the biochemical domain
Presented at International Conference for Learning Representations (ICLR) 2025 [Poster], Singapore,
A new framework for evaluating machine learning in biochemistry and its application for peptides and small molecules
Presented at IRB AI for Drug Discovery 2025 [Poster], Barcelona, Spain,
Effect of dataset partitioning strategies for evaluating out-of-distribution generalisation for predictive models in biochemistry
Presented at American Chemical Society (ACS) Fall Meeting [Poster] 2024, Denver, Colorado, United States,