Open to opportunities

Mario Astigarraga Espeita

@marioastigarragaespe

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Bioinformatics and AI research assistant building cheminformatics platforms for drug and nutraceutical discovery.

Spain

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What I'm looking for

I’m looking for a role where I can apply Python/R, cheminformatics, and ML to study molecular/protein interactions, publish and present results, and grow through collaboration in an interdisciplinary research team.

I’m a Bioinformatics and AI researcher at IMDEA Nutrición, working in the Group of Cheminformatics and Artificial Intelligence. I’ve been focused on turning computational methods into practical insights for drug and nutraceutical development, particularly through the AIMETMI project.

My day-to-day work centers on comparative analysis of microbial metabolites and food-related compounds, mapping functional groups and studying how they interact with their protein targets. I’ve also contributed to the interpretation of protein–protein interaction binding, and I support research communication by presenting results in international venues.

Alongside research, I’ve built strong computational foundations for bioinformatic analysis. I program in Python, R, and bash on Linux, using tools and ecosystems such as Biopython, Bioconductor, and RDKit, and I work with data through SQL/MySQL and bioinformatics-oriented pipelines.

I’m now moving into doctoral studies under the direction of Dr. Gonzalo Colmenarejo. I bring an interdisciplinary mindset—combining machine learning, statistical analysis, and cheminformatics with a research ethos grounded in reproducibility, clarity, and impact.

Experience

Work history, roles, and key accomplishments

Current

PhD Student (Doctorado)

Current

IMDEA Nutrición

Nov 2025 - Present (7 months)

Currently enrolled as a PhD student in IMDEA Nutrition’s Cheminformatics and AI group under Dr. Gonzalo Colmenarejo, advancing computational cheminformatics and AI workflows for studying biomolecular interactions and drug/nutraceutical targets.

Python SQL BASH Machine Learning Cheminformatics Protein Target Analysis Docking Conformal Prediction Data Analysis RDKit

Research Assistant

IMDEA Nutrición

Apr 2024 - Nov 2025 (1 year 7 months)

Worked as a Research Assistant in IMDEA Nutrition’s Cheminformatics and AI group under the AIMETMI project, analyzing intestinal metabolite groups and DrugBank compounds and characterizing interactions with protein targets. Contributed to a review on conformal prediction in cheminformatics machine learning models.

Python R BASH SQL Machine Learning Cheminformatics Bioinformatics RDKit Conformal Prediction

Education

Degrees, certifications, and relevant coursework

Universitat Oberta de Catalunya (UOC) – Universitat de Barcelona (UB)

Máster Universitario en Bioinformática y Bioestadística, Bioinformática y Bioestadística

2022 - 2024

Grade: 8.79

Activities and societies: Adquirió conocimientos en Bash, R y Python, usando Biopython/Bioconductor; análisis estadísticos y ómicos; manipulación de bases de datos (MySQL), desarrollo web (HTML/CSS) y Machine Learning.

Máster Universitario en Bioinformática y Bioestadística (UOC-UB). Se formó en programación y metodologías para análisis bioinformático y bioestadístico, incorporando análisis ómicos y estadísticos.

Universidad del País Vasco (UPV/EHU)

Grado en Bioquímica y Biología Molecular, Bioquímica y Biología Molecular

2018 - 2022

Grade: 7.77

Activities and societies: Trabajo Fin de Grado en el Grupo de Oftalmo-Biología Experimental (GOBE), con modelos murinos de isquemia ocular y análisis inmunohistoquímicos/estadísticos.

Grado en Bioquímica y Biología Molecular en la UPV/EHU. Cursó asignaturas clave como Bioestadística y Bioinformática y realizó el Trabajo Fin de Grado en Oftalmo-Biología Experimental (UPV/EHU).