Generating equilibrium ensembles of structures is essential for modeling molecules and materials, yet traditional simulators like molecular dynamics suffer from limited sampling efficiency. Boltzmann ...

Protein conformational energy landscapes are shaped not only by intramolecular interactions but also by their environment. In protein crystals and protein–protein complexes, intermolecular contacts ...

Genes that follow similar expression trajectories in response to stress or stimulus tend to share biological functions. Thus, it is reasonable and common to cluster genes by expression trajectories.

Welcome to CS221! This repository contains all the (executable) lectures, which are made using edtrace. Each lecture consists of stepping through Python files which you can either view in your browser ...