2 papers
physics.chem-ph2026
A Machine-Learning Framework for Efficient Ring-Polymer Instanton Rate Calculations
Chenghao Zhang, Amke Nimmrich, Axel Gomez +2
We develop an efficient machine-learning framework for ring-polymer instanton rate calculations that combines Gaussian process regression (GPR)-enhanced line integral string optimi…
q-bio.QM2025
VenusMutHub: A systematic evaluation of protein mutation effect predictors on small-scale experimental data
Liang Zhang, Hua Pang, Chenghao Zhang +11
In protein engineering, while computational models are increasingly used to predict mutation effects, their evaluations primarily rely on high-throughput deep mutational scanning (…