Wei-Tse Hsu's Projects
A repository for developing simple data analysis methods and illustration of advanced sampling methods used in MD simulations
A repository providing jupyter notebooks and simulation inputs that accompany the mini course Hands-on tutorials: Advanced sampling methods using GROMACS
A repository for maintaining the simulation files and analysis codes for the JCTC paper of alchemical metadynamics
A repository for the final project implementing/applying Boltzmann generators for Computational Statistical Physics (PHYS 7810) at CU Boulder
Final project for Stanford CS 230 - Deep learning (Autumn 2019).
A GitHub repository for the CSCI class at CU Boulder: Software Engineering for Scientists
Self-supervised neural nets to understand protein mutations
A python package for performing GROMACS simulation ensembles
A repository for the development of data analysis tools for expanded ensemble (EXE) simulations
Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pytorch. Idea proposed and accepted at ICLR 2021
A repository for the development useful codes for visualizing MD simulation data
A repository for the test systems for the development of alchemical metadynamics
A sample repo for the mm software summer school project
A repository for backing of simulation input files.
🚂 Python API for Emma's Markov Model Algorithms 🚂
A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations
A python package for simulating sampling behaviors of enhanced sampling simulations