hpcanalytics Goto Github PK

algorithm.pcc

Parallel clustering coefficient algorithm

algorithm.pes

Parallel edge switch

algorithm.ptc

Parallel triangle counting (exact)

clustering-and-grouping

cylon

Cylon is a fast, scalable distributed memory data parallel library for processing structured data

damds

MPI Implementation of WDA-SMACOF

documentation

Documentation for HPCAnalytics

harp

A collective communication library plugined into Hadoop

hausdorff_cpptraj

Hausdorff calculation for cpptraj

hidden-markov-model

SPIDAL Image Processing and Optimization Library

markov-random-field

midas-alchemlyb

FEP analysis using alchemlyb

ml-tutorial

paper-hpc-py-parallel-mdanalysis

Paper investigating approaches to increase the performance of analysing MD trajectories with Python on HPC resources.

pilot-streaming

Managing Stream Processing on HPC

pmda

Parallel algorithms for MDAnalysis

radical.pilot

RADICAL-Pilot

spidal-mdanalysis-midas-tutorial

Tutorial for SPIDAL presentation at workshop, showing how to use Midas radical.pilot to analyze an ensemble of MD trajectories with Path Similarity Analysis (as implemented in MDAnalysis).

supplement-hpc-py-parallel-mdanalysis

Supplementary material (scripts and documentation) for the paper "Guidelines on Obtaining Ideal Performance for Parallel Analysis of Molecular Dynamics Trajectories with Python on HPC Resources"

twister2

Twister2 is a generic big data toolkit supporting streaming, data processing and analytics