Skip to content
#

free-energy

Star

Here are 2 public repositories matching this topic...

Language: HTML
Filter by language
All 48 Python 29 C++ 8 Jupyter Notebook 4 Fortran 2 HTML 2 Shell 2 R 1

charlesdavid / JED

Star 5

JED is a program for performing Essential Dynamics of protein trajectories written in Java. JED is a powerful tool for examining the dynamics of proteins from trajectories derived from MD or Geometric simulations. Currently, there are two types of PCA: distance-pair and Cartesian, and three models: COV, CORR, and PCORR.

pymol pca-analysis free-energy covariance-matrix principal-components dynamical-modeling kernel-density-estimation correlation-measures essentialmode correlation-matrices eigen-vector-decomposition subspace-identification
  • Updated May 18, 2018
  • HTML

Improve this page

Add a description, image, and links to the free-energy topic page so that developers can more easily learn about it.

Curate this topic

Add this topic to your repo

To associate your repository with the free-energy topic, visit your repo's landing page and select "manage topics."

Learn more