This package uses external packages numpy and networkx. Those can be installed from the python package index. The following few lines of code creates a random graph with 4 nodes and then uses the ...

Article subjects are automatically applied from the ACS Subject Taxonomy and describe the scientific concepts and themes of the article. This article outlines an atomistic scale approach which is ...

Impact Statement: Clustering algorithms are used in many fields to group similar data points together based on some similarity criteria. The impact of clustering algorithms can be significant in many ...

We present a novel hybrid MD-kMC algorithm that is capable of efficiently folding proteins in explicit solvent. We apply this algorithm to the folding of a small protein, Trp-Cage. Different kMC move ...

Abstract: An improved artificial bee colony algorithm (IABC) was proposed to solve the problems of the k-means clustering (KMC) algorithm, such as poor global search ability, sensitive selection of ...

K-means clustering is a method of vector quantization, originally from signal processing, that aims to partition n observations into k clusters in which each observation belongs to the cluster with ...