2 papers
physics.bio-ph2026
Temperature transferable Machine Learned Coarse Grained model for proteins
Jacopo Venturin, Cecilia Clementi
Coarse-grained (CG) molecular simulations offer an efficient alternative to atomistic molecular dynamics to study large and complex biological systems. The accuracy of CG simulatio…
physics.comp-ph2025
Extending the RANGE of Graph Neural Networks: Relaying Attention Nodes for Global Encoding
Alessandro Caruso, Jacopo Venturin, Lorenzo Giambagli +3
Graph Neural Networks (GNNs) are routinely used in molecular physics, social sciences, and economics to model many-body interactions in graph-like systems. However, GNNs are inhere…