Alternatives and similar repositories for pyiron_base

Users that are interested in pyiron_base are comparing it to the libraries listed below

• pyiron / executorlib
  Up-scale python functions for high performance computing (HPC)
  ☆37Updated this week
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆45Updated this week
• argonne-lcf / balsam
  High throughput workflows and automation for HPC
  ☆82Updated last month
• hackingmaterials / rocketsled
  plug-n-play black box optimizer for high-throughput computing
  ☆50Updated 2 years ago
• osscar-org / widget-periodictable
  A jupyter widget to select chemical elements from the periodic table.
  ☆16Updated 5 months ago
• materialsproject / MPContribs
  Platform for materials scientists to contribute and disseminate their materials data through Materials Project
  ☆39Updated this week
• pyiron / pysqa
  Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
  ☆30Updated this week
• materialsproject / jobflow
  jobflow is a library for writing computational workflows.
  ☆104Updated this week
• aiidalab / aiidalab-docker-stack
  Docker images with the basic software stack for AiiDAlab
  ☆9Updated this week
• materialsvirtuallab / monty
  This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful u…
  ☆81Updated 3 weeks ago
• glotzerlab / signac
  Manage large and heterogeneous data spaces on the file system.
  ☆133Updated last week
• LaurentRDC / crystals
  Data structures, algorithms, and parsing for crystallography
  ☆50Updated 6 months ago
• diffpy / pyobjcryst
  Python bindings to ObjCryst++ Object-Oriented Crystallographic Library
  ☆17Updated this week
• Garden-AI / garden
  ☆33Updated this week
• mpds-io / mpds-api
  Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…
  ☆27Updated 2 months ago
• MLMI2-CSSI / foundry
  Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry
  ☆82Updated 2 months ago
• Anselmoo / spectrafit
  📊📈🔬 SpectraFit is a command-line and Jupyter-notebook tool for quick data-fitting based on the regular expression of distribution func…
  ☆30Updated last week
• glotzerlab / signac-flow
  Workflow management for signac-managed data spaces.
  ☆48Updated this week
• jacksund / simmate
  Simmate is full-stack framework for chemistry research.
  ☆35Updated this week
• BIG-MAP / big-map-registry
  Registry for BIG-MAP apps and codes. Find the apps
  ☆10Updated this week
• pyiron / pyiron_workflow
  Graph-and-node based workflows
  ☆18Updated last week
• epfl-theos / koopmans
  Implementation of Koopmans-compliant functionals in Quantum ESPRESSO
  ☆16Updated 3 weeks ago
• pyscal / pyscal3
  More efficient and faster version of pyscal
  ☆21Updated 2 months ago
• nomad-coe / greenX
  Library for Green’s function based electronic structure theory calculations
  ☆26Updated 2 months ago
• osscar-org / jupyterlab-mol-visualizer
  A JupyterLab launcher extension to view the molecular orbitals.
  ☆19Updated 10 months ago
• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆35Updated last week
• glotzerlab / freud-examples
  Examples for the freud library.
  ☆14Updated 3 weeks ago
• bast / runtest
  Numerically tolerant end-to-end test library for research software.
  ☆24Updated 2 months ago
• aiidateam / aiida-registry
  Find plugins for AiiDA
  ☆18Updated this week
• aspuru-guzik-group / funsies
  funsies is a lightweight workflow engine 🔧
  ☆41Updated 3 years ago