Raúl Fernández Díaz

Title

Pre-doc Bioinformatics Researcher

Bio

I'm a PhD Student at UCD Conway Institute and a Pre-doc student at IBM. My project focuses on Multi-modal foundational models for protein representation learning.

Publications

A new framework for evaluating model out-of-distribution generalisation for the biochemical domain
- - Raúl Fernández Díaz
  - Lam Thanh Hoang
  - et al.
- 2025
- ICLR 2025
Molecular Modelling in Bioactive Peptide Discovery and Characterisation
- - Clement Agoni
  - Raúl Fernández Díaz
  - et al.
- 2025
- Molecules
A new framework for evaluating machine learning in biochemistry and its application for small molecules and peptides
- - Raúl Fernández Díaz
  - Lam Thanh Hoang
  - et al.
- 2025
- IRB-AI-DD 2025
Enhancing foundation models for scientific discovery via multimodal knowledge graph representations
- - Vanessa Lopez
  - Lam Thanh Hoang
  - et al.
- 2025
- Journal of Web Semantics
MorganGen: Generative Modeling of SMILES Using Morgan Fingerprint Features
- - Lam Thanh Hoang
  - Raúl Fernández Díaz
  - et al.
- 2024
- ACS Fall 2024
Effect of dataset partitioning strategies for evaluating out-of-distribution generalisation for predictive models in biochemistry
- - Raúl Fernández Díaz
  - Lam Thanh Hoang
  - et al.
- 2024
- ACS Fall 2024
Analysis of docking for binding affinity prediction
- - Raúl Fernández Díaz
  - Denis Shields
  - et al.
- 2024
- ACS Fall 2024
AutoPeptideML: A study on how to build more trustworthy peptide bioactivity predictors
- - Raúl Fernández Díaz
  - Rodrigo Cossio-pérez
  - et al.
- 2024
- ISMB 2024
Effect of dataset partitioning strategies for evaluating out-of-distribution generalisation for predictive models in biochemistry
- - Raúl Fernández Díaz
  - Lam Thanh Hoang
  - et al.
- 2024
- ISMB 2024
Effect of dataset partitioning strategies for evaluating out-of-distribution generalisation for predictive models in biochemistry
- - Raúl Fernández Díaz
  - Lam Thanh Hoang
  - et al.
- 2024
- MoML 2024

Top collaborators

Lam Hoang

Research Staff Member, Master Inventor

Vanessa Lopez Garcia

Senior Research Scientist and Manager, AI for Health and Social Care, Master inventor

Joao Bettencourt

Senior Research Scientist

Marco Sbodio

Senior Research Scientist