berhane

LAP-solvers

Benchmarking Linear Assignment Problem Solvers

arbalign

aligns arbitrarily ordered isomers

gmu-orc-dgx

Orca-scripts

Bash scripts to run Orca

python-math-benchmark

CPython Math vs. NumPy vs. PyTorch vs. TensorFlow

auction-lap

Auction algorithm for solving linear assignment problem (LAP)

beegfs-sandbox

beegfs HPC

berhane.github.io

Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes

CRI_Jetstream_Cluster

Scripts and Ansible Playbooks for building an HPC-style resource in Jetstream

HPC-Acceptance-Tests

Open repository of test scripts for future procurements.

MolRepo

A collection of Cartesian coordinates and binding energies of molecular clusters

data2csv

Parse bulk output files into a single CSV file

documentation-template

Website in gh-pages branch; docs in master branch.

duplicate-images

A script to find and delete duplicate images using pHash.

elastalert2

ElastAlert 2 is a continuation of the original yelp/elastalert project. Pull requests are appreciated!

examples

Usage examples for ARC resources

filebeat-module-postfix

A Filebeat module that parses log files created by Postfix

GoodVibes

Calculate quasi-harmonic free energies from Gaussian output files with temperature and haptic corrections

images

jupyterhub-deploy-hpc

Documented examples of Jupyterhub deployment in HPC settings

molecule_adding

Systematic addition of a small molecule to an existing cluster/molecule

netcdf-c

Official GitHub repository for netCDF-C libraries and utilities.

primes-counter

A quick example to test compilers and MPI libraries: count number of primes below a a certain max

pyQRC

Quick Reaction Coordinate using Python

redfin

A Python wrapper around redfin's unofficial API.

rmsd

Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format

SLURM

SLURM Example Scripts

Slurm_tools

My tools for the Slurm HPC workload manager

thermoanalysis

Torque_tools

My tools for the Torque resource manager