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parameter-sweep

Here are 7 public repositories matching this topic...

elcorto / pwtools

pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with some tools extending numpy/scipy. It has a set of powerful parsers and data types for storing calculation data.

python sqlite molecular-dynamics lammps preprocessing quantum-espresso polynomial-regression cp2k multivariate-regression radial-basis-function kernel-regression postprocessing radial-distribution-function ase parameter-sweep kernel-ridge-regression quasi-harmonic-approximation cpmd radial-pair-correlation-function

Updated Aug 28, 2023
Python

elcorto / psweep

Loop like a pro, make parameter studies fun.

python database pandas parameter-estimation dask parameter-search parameter-sweep parameter-scan dask-jobqueue dask-distributed parameter-study computational-experiment

Updated May 6, 2024
Python

maharshi95 / submititnow

A "makeshift" toolkit to create and launch Jobs from existing python scripts on SLURM, and also monitor the status of current and past jobs.

python cli machine-learning slurm parameter-sweep submitit job-tracking

Updated May 13, 2024
Python

eviatarbach / parasweep

Utility for facilitating parallel parameter sweeps

python parameter-sweep

Updated Apr 8, 2021
Python

davidenunes / param-sweeper

A Parameter Sweeping Utility Library

java combinations parameter sweeper parameter-sweep

Updated Dec 3, 2017
Java

UnixJunkie / PAR

Execute shell commands in a parallel and/or distributed way

parallel-computing distributed-computing command-line-tool parameter-sweep python-program bag-of-tasks

Updated Aug 6, 2020
Python

edponce / papas

Parallel Parameter Studies framework

parameter-search parameter-sweep

Updated Jul 25, 2018
Python

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