yusheng's repositories
Gaussian_process
Simple implementation of GP with active learning and Bayesian optimization as well as multi-fidelity GP.
Gmx_topology
A simple python script to split the topology outputted by AmberTools
Neural_machine_translation
Final project for ENM 531(Scientific computing/Machine learning) class at University of Pennsylvania.
wham
Binned and binless implementation of wham developed during my phD years at Amish Patel's lab in University of Pennsylvania
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