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)
  ☆69Updated last week
• argonne-lcf / balsam
  High throughput workflows and automation for HPC
  ☆82Updated 7 months ago
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆47Updated this week
• hackingmaterials / rocketsled
  plug-n-play black box optimizer for high-throughput computing
  ☆51Updated 2 years ago
• MLMI2-CSSI / foundry
  Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry
  ☆85Updated 2 weeks ago
• Anselmoo / spectrafit
  📊📈🔬 SpectraFit is a command-line and Jupyter-notebook tool for quick data-fitting based on the regular expression of distribution func…
  ☆33Updated this week
• materialsproject / jobflow
  jobflow is a library for writing computational workflows.
  ☆117Updated last week
• Garden-AI / garden
  ☆37Updated 2 weeks ago
• glotzerlab / signac-flow
  Workflow management for signac-managed data spaces.
  ☆48Updated 6 months ago
• DLHub-Argonne / dlhub_sdk
  Python Interface to the Data and Learning Hub for Science
  ☆28Updated 2 years ago
• osscar-org / widget-periodictable
  A jupyter widget to select chemical elements from the periodic table.
  ☆16Updated 11 months ago
• pyiron / pysqa
  Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
  ☆33Updated this week
• diffpy / pyobjcryst
  Python bindings to ObjCryst++ Object-Oriented Crystallographic Library
  ☆17Updated this week
• materialsproject / MPContribs
  Platform for materials scientists to contribute and disseminate their materials data through Materials Project
  ☆39Updated this week
• glotzerlab / signac
  Manage large and heterogeneous data spaces on the file system.
  ☆138Updated 2 weeks ago
• ExaWorks / psij-python
  ☆30Updated last week
• LaurentRDC / crystals
  Data structures, algorithms, and parsing for crystallography
  ☆53Updated last year
• materialyzeai / monty
  This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful u…
  ☆83Updated last 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…
  ☆26Updated 2 weeks ago
• glotzerlab / freud-examples
  Examples for the freud library.
  ☆14Updated 2 weeks ago
• pyiron / pyiron_workflow
  Graph-and-node based workflows
  ☆22Updated last week
• osscar-org / jupyterlab-mol-visualizer
  A JupyterLab launcher extension to view the molecular orbitals.
  ☆19Updated last year
• jacksund / simmate
  Simmate is a full-stack framework for chemistry research.
  ☆36Updated last week
• lanl / qmd-progress
  PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.
  ☆27Updated this week
• aiidateam / aiida-registry
  Find plugins for AiiDA
  ☆19Updated this week
• CrossFacilityWorkflows / DOE-HPC-workflow-training
  Repo for a DOE HPC workflow training event
  ☆13Updated 2 years ago
• nexusformat / definitions
  Definitions of the NeXus Standard File Structure and Contents
  ☆30Updated 3 weeks ago
• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆35Updated 2 months ago
• python-periodictable / periodictable
  Extensible periodic table for python
  ☆166Updated 2 weeks ago
• bast / runtest
  Numerically tolerant end-to-end test library for research software.
  ☆25Updated 8 months ago