Integrating the Vinardo Scoring Function into muDock
C++ integration of the Vinardo scoring function into muDock, including atom typing, PDBQT topology, pair preprocessing, CPU scoring, and validation against smina.
Tommaso Vaccari
Abstract
Computer engineer and MSc student in HPC Engineering at Politecnico di Milano. I’m interested in high-performance computing and optimizing machine learning systems.
Now: MSc in HPC Engineering · Politecnico di Milano
Selected work
CustomGPT Experiments
A shared from-scratch GPT architecture used to study arithmetic loss masking, corpus quality, model capacity, context length, and consumer-GPU constraints.
Mesos
Distributed Java implementation of the Mesos board game, with TUI, JavaFX GUI, TCP and RMI networking, multi-game support, reconnection handling, and MySQL rankings.
Notes and deep dives
- Integrating the Vinardo Scoring Function into muDock. A technical deep dive into integrating Vinardo into muDock, from molecular representation and preprocessing to CPU scoring, validation against smina, and CASF-2016 results. 7 Jul 2026.
- Introduction to BLAS. An introduction to BLAS routines, the roofline model, and SGEMM optimization 27 Jun 2026.
Education & milestones
MSc in HPC Engineering
Politecnico di Milano · Milan, Italy
Currently enrolled in the MSc programme in HPC Engineering.
BSc in Engineering & Computer Science
Milan, Italy
Graduated from Politecnico di Milano with a GPA of 29.3/30, 12 honors, and a final grade of 110/110 cum laude.
Superhero Valley — Mentee
Remote · Italy
Six-month mentorship program for Italian engineering students. One-to-one sessions with senior engineers and product leaders on engineering practice and career direction.
Superhero ValleyTop Freshman Award
Politecnico di Milano
Recognized as one of the top Engineering & Computer Science freshmen for academic excellence.
Liceo Scientifico
Ferrara, Italy
Scientific high school diploma completed with final grade 100/100, combining mathematics, physics, and computer science foundations.