Alternatives and similar repositories for pyiron_base:

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

• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆45Updated this week
• pyiron / executorlib
  Up-scale python functions for high performance computing (HPC)
  ☆31Updated this week
• hackingmaterials / rocketsled
  plug-n-play black box optimizer for high-throughput computing
  ☆47Updated 2 years ago
• materialsproject / MPContribs
  Platform for materials scientists to contribute and disseminate their materials data through Materials Project
  ☆37Updated last week
• materialsproject / jobflow
  jobflow is a library for writing computational workflows.
  ☆103Updated this week
• jacksund / simmate
  Simmate is a toolbox and full-stack framework for chemistry research.
  ☆30Updated this week
• pyiron / pysqa
  Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
  ☆27Updated this week
• MLMI2-CSSI / foundry
  Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry
  ☆80Updated 3 months ago
• osscar-org / jupyterlab-mol-visualizer
  A JupyterLab launcher extension to view the molecular orbitals.
  ☆17Updated 8 months ago
• osscar-org / widget-periodictable
  A jupyter widget to select chemical elements from the periodic table.
  ☆16Updated 3 months ago
• 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 3 months ago
• lanl / qmd-progress
  PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.
  ☆22Updated this week
• ExaWorks / psij-python
  ☆28Updated this week
• diffpy / pyobjcryst
  Python bindings to ObjCryst++ Object-Oriented Crystallographic Library
  ☆17Updated 6 months ago
• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆35Updated 6 months ago
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆26Updated 2 years ago
• pyiron / pylammpsmpi
  Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
  ☆33Updated this week
• dkratzert / StructureFinder
  A crystal structure finder written in PyQt5 and Python3
  ☆16Updated 3 weeks ago
• bjmorgan / bsym
  A Basic Symmetry Module (Python)
  ☆17Updated last month
• sciapp / sampledb
  Sample and Measurement Metadata Database
  ☆25Updated this week
• argonne-lcf / balsam
  High throughput workflows and automation for HPC
  ☆82Updated 3 months ago
• pylada / pylada
  High-Throughput Computational Physics Framework
  ☆12Updated 7 years ago
• BIG-MAP / big-map-registry
  Registry for BIG-MAP apps and codes. Find the apps
  ☆10Updated this week
• materialsproject / emmet
  Be a master builder of databases of material properties. Avoid the Kragle.
  ☆59Updated this week
• pyscal / pyscal3
  More efficient and faster version of pyscal
  ☆21Updated 2 months ago
• Andrew-S-Rosen / cbe504
  CBE 504 at Princeton
  ☆16Updated 3 weeks ago
• WMD-group / PyTASER
  Python package to simulate differential absorption spectra of crystals from first principles
  ☆30Updated last month
• materialsproject / maggma
  Building blocks for scientific data pipelines
  ☆39Updated last week
• aiidalab / aiidalab
  Implements core functions for AiiDAlab.
  ☆16Updated this week
• ornlpmcp / ASCENDS
  Advanced data SCiEnce toolkit for Non-Data scientists
  ☆66Updated last year