Andrea Mastropietro



I'm a Computer Engineer with a Ph.D. in Data Science, Research Fellow at the Department of Computer, Control and Management Engineering (DIAG) of Sapienza University of Rome

During my Ph.D., my advisor was Aris Anagnostopoulos (Sapienza) and my co-advisor Paolo Tieri (CNR).

My research interests are in the field of AI for medicine, mainly focusing on deep learning in bioinformatics and chemoinformatics.

I was teaching assistant (TA) for the Data Mining, Social Network and Online Markets and Bioinformatics and Network Medicine courses.

From September 2022 to February 2023, I was a visiting Ph.D. researcher at the Department of Life Science Informatics and Data Science, B-IT, LIMES Institute at The University of Bonn. I worked here under the supervision of Prof. Jürgen Bajorath.


Ph.D. in Data Science, Sapienza University of Rome. Magna cum Laude.

Visiting Ph.D. researcher at the University of Bonn (Germany).

MSc in Engineering in Computer Science, Sapienza University of Rome. 110/110 Magna cum Laude. 

Excellent Graduate A.Y. 2018/19.

Honours Programme.

Erasmus Programme at Polytechnic University of Catalonia (Barcelona, Spain).

BSc in Computer and System Engineering, Sapienza University of Rome 110/110 Magna cum Laude.

Honours Programme.

High School Degree, Liceo Scientifico A. Labriola, 100/100 cum Laude.


Latest research

Mastropietro, A., Pasculli, G. & Bajorath, J. Learning characteristics of graph neural networks predicting protein–ligand affinities. Nature Machine Intelligence (2023). Read here:

Mastropietro, A., Feldmann, C. & Bajorath, J. Calculation of exact Shapley values for explaining support vector machine models using the radial basis function kernel. Sci Rep 13, 19561 (2023).

Andrea Mastropietro, Gianluca De Carlo, Aris Anagnostopoulos, XGDAG: eXplainable Gene–Disease Associations via Graph Neural Networks, Bioinformatics, Volume 39, Issue 8, August 2023, btad482,

For a full list of my publications, see here.


For courses/labs, click here.

Achievements, Grants & Awards


My joint research with Gianluca De Carlo "Enhancing Drug Repurposing via Explainable Geometric Deep Learning for Knowledge Graphs " won the grant Fondi di Avvio alla Ricerca Tipo 1.


My research "Explaining Graph Neural Networks in Medicinal Chemistry" won the grant Fondi di Avvio alla Ricerca Tipo 2.


My research "Neural Network Interpretability in Bioinformatics" won the grant Fondi di Avvio alla Ricerca Tipo 1.

Best presentation/poster award: "Feature Selection in Neural Networks via Rank Aggregation", 4th Advanced Online & Onsite Course on Data Science & Machine Learning (ACDL 2021).


Copernicus Masters 2020 - ESA DTE Challenge and Copernicus Prize Italy winners: U-GEO, Urban Green from Earth Observation.


Email: mastropietro [at]

Office: Room A101 - Department of Computer, Control and Management Engineering (DIAG). Via Ariosto 25, Rome.