Lorenzo Di Fruscia

PhD Candidate at TU Delft · AI for Science

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PhD Candidate

Delft Bioinformatics Lab

TU Delft

I am a PhD candidate at Delft University of Technology in the department of Intelligent Systems. In early 2024 I joined the Delft Bioinformatics Lab to work on interdisciplinary research at the intersection of machine learning and molecular sciences. My current topics range from LLMs to molecular representation learning, generative modeling, and multimodal alignment.

Before joining TU Delft, I studied physics at Sapienza University of Rome, with a focus on statistical mechanics, artificial intelligence, and soft matter.

More broadly, I am fascinated by emergence across scales: how local interactions between simple components give rise to structure, function, and dynamics in complex systems, from molecules and biological networks to collective social behaviour.

Selected Publications

  1. cover_pipeline_scheme.png
    Grounding Large Language Models in Reaction Knowledge Graphs for Synthesis Retrieval
    Olga Bunkova, Lorenzo Di Fruscia, Sophia Rupprecht, and 3 more authors
    2025
    ELLIS UnConference workshop ML4Molecules 2025
  2. Cover_readme.png
    Leveraging large language models for enzymatic reaction prediction and characterization
    Lorenzo Di Fruscia and Jana M. Weber
    Digital Discovery, 2025