3 papers
cs.CL2026
Shieldstral
Antonia Calvi, Avinash Sooriyarachchi, Giada Pistilli +274
We introduce Shieldstral, a 3B-parameter policy-adaptive multimodal safety classifier that matches or outperforms models nearly 7 its size on text safety benchmarks and set…
cs.LG2025
Broadening the Scope of Neural Network Potentials through Direct Inclusion of Additional Molecular Attributes
Guillem Simeon, Antonio Mirarchi, Raul P. Pelaez +2
Most state-of-the-art neural network potentials do not account for molecular attributes other than atomic numbers and positions, which limits its range of applicability by design.…
q-bio.BM2024
AMARO: All Heavy-Atom Transferable Neural Network Potentials of Protein Thermodynamics
Antonio Mirarchi, Raul P. Pelaez, Guillem Simeon +1
All-atom molecular simulations offer detailed insights into macromolecular phenomena, but their substantial computational cost hinders the exploration of complex biological process…