molecular-simulation topic

CHAP is a tool for the functional annotation of ion channel structures:

channotation

Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)

lujiarui

Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.

LoLab-MSM

Virtual chemistry simultaion. Visualization of the behavior of particles in 2D and 3D space. Artifical life research.

Smoren