Advancing Molecular Machine (Learned) Representations with Stereoelectronics-Infused Molecular Graphs. - Daniil A. Boiko; Thiago Reschützegger; Benjamín Sánchez-Lengeling; Samuel M. Blau; Gabe Gomes (CoRR, 2024)

Force-Free Molecular Dynamics Through Autoregressive Equivariant Networks. - Fabian L. Thiemann; Thiago Reschützegger; Massimiliano Esposito; Tseden Taddese; Juan D. Olarte-Plata; Fausto Martelli (CoRR, 2025)