Berhane's repositories

LAP-solvers

Benchmarking Linear Assignment Problem Solvers

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arbalign

aligns arbitrarily ordered isomers

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Orca-scripts

Bash scripts to run Orca

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python-math-benchmark

CPython Math vs. NumPy vs. PyTorch vs. TensorFlow

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auction-lap

Auction algorithm for solving linear assignment problem (LAP)

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beegfs-sandbox

beegfs HPC

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berhane.github.io

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

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CRI_Jetstream_Cluster

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

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HPC-Acceptance-Tests

Open repository of test scripts for future procurements.

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MolRepo

A collection of Cartesian coordinates and binding energies of molecular clusters

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data2csv

Parse bulk output files into a single CSV file

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documentation-template

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

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duplicate-images

A script to find and delete duplicate images using pHash.

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elastalert2

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

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examples

Usage examples for ARC resources

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filebeat-module-postfix

A Filebeat module that parses log files created by Postfix

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GoodVibes

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

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jupyterhub-deploy-hpc

Documented examples of Jupyterhub deployment in HPC settings

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molecule_adding

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

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netcdf-c

Official GitHub repository for netCDF-C libraries and utilities.

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primes-counter

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

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pyQRC

Quick Reaction Coordinate using Python

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redfin

A Python wrapper around redfin's unofficial API.

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rmsd

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

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SLURM

SLURM Example Scripts

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Slurm_tools

My tools for the Slurm HPC workload manager

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Torque_tools

My tools for the Torque resource manager

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