Iván Pulido

Publication Activity (10 Years)

Years Active: 2023-2023
Publications (10 Years): 2

Top Topics

Protein Protein

Molecular Dynamics Simulations

Top Venues

Publications

Kenichiro Takaba, Iván Pulido, Mike Henry, Hugo MacDermott-Opeskin, John D. Chodera, Yuanqing Wang
Espaloma-0.3.0: Machine-learned molecular mechanics force field for the simulation of protein-ligand systems and beyond. CoRR (2023)
Yuanqing Wang, Iván Pulido, Kenichiro Takaba, Benjamin Kaminow, Jenke Scheen, Lily Wang, John D. Chodera
EspalomaCharge: Machine learning-enabled ultra-fast partial charge assignment. CoRR (2023)