Guillermo Ramajo Fernández

AI Research Scientist

I develop machine learning systems that accelerate scientific discovery through foundation models, self-supervised learning, representation learning and agentic AI for computational biology and drug discovery. I've been writing about this work on this site since late 2024.

Current Work

AI Research Scientist
Universidad CEU San Pablo

PhD candidate developing foundation models and machine learning methods for computational biology, molecular representation learning and AI-driven drug discovery.

Research Interests

Foundation Models Machine Learning Drug Discovery Computational Biology Agentic AI Synthetic Biology Self-Supervised Learning Representation Learning

Selected Highlights

Research

Published research on machine learning for computational metabolomics, self-supervised learning and CCS prediction.

Engineering

Building PyTorch-based deep learning systems for molecular representation learning and biomedical AI.

Current Focus

Exploring foundation models and agentic AI systems capable of assisting scientists throughout the research workflow.

Featured Projects

Transfer Learning for CCS Prediction

Self-supervised learning framework improving molecular collision cross-section prediction across datasets.

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Cloud Classification AI

Computer vision application that identifies cloud types from user-uploaded images.

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Foundation Models for Biology

Ongoing research exploring representation learning, multimodal AI and scientific foundation models.

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Latest Publications

A Self-Supervised Transfer Learning Approach for Collision Cross-Section Prediction

IWANN 2025

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Recent Writing

Building a Multi-Agent System for Drug Discovery

August 2026 — an engineering retrospective on six months of prototyping a multi-agent drug-discovery system, what worked, what didn't, and the parts I'd build differently.

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All articles since 2024