PrincipalPath

Repository for Principal Path finding algorithms, see References for details

Installation

git clone https://github.com/MaJac89/PrincipalPath.git
cd PrincipalPath
source sourceme.sh

cd PrincipalPath/examples
python rkm_2D.py
python protein_channel.py

[1] 'Finding Prinicpal Paths in Data Space', M.J.Ferrarotti, W.Rocchia, S.Decherchi, [submitted]

[2] 'Design and HPC Implementation of Unsupervised Kernel Methods in the Context of Molecular Dynamics', M.J.Ferrarotti, PhD Thesis.

Name		Name	Last commit message	Last commit date
Latest commit History 5 Commits
datasets		datasets
examples		examples
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md
linear_utilities.py		linear_utilities.py
principalpath.py		principalpath.py
sourceme.sh		sourceme.sh