Alternatives and similar repositories for psij-python

Users that are interested in psij-python are comparing it to the libraries listed below

• Garden-AI / garden
  ☆37Updated 2 weeks ago
• argonne-lcf / balsam
  High throughput workflows and automation for HPC
  ☆83Updated 4 months ago
• pyiron / executorlib
  Up-scale python functions for high-performance computing (HPC)
  ☆53Updated last week
• eth-cscs / pyfirecrest
  Python wrappers for the FirecREST API
  ☆12Updated 2 weeks ago
• glotzerlab / signac-flow
  Workflow management for signac-managed data spaces.
  ☆48Updated 2 months ago
• funcx-faas / funcx-web-service
  ☆14Updated 3 years ago
• pyiron / pysqa
  Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
  ☆31Updated this week
• exalearn / colmena
  Library for steering campaigns of simulations on supercomputers
  ☆58Updated 4 months ago
• materialsproject / jobflow
  jobflow is a library for writing computational workflows.
  ☆112Updated last week
• materials-data-facility / connect_client
  The MDF Connect Client is the Python client to easily submit datasets to MDF Connect.
  ☆10Updated last year
• ur-whitelab / hoomd-tf
  A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD
  ☆33Updated last year
• CrossFacilityWorkflows / DOE-HPC-workflow-training
  Repo for a DOE HPC workflow training event
  ☆13Updated 2 years ago
• MLMI2-CSSI / foundry
  Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry
  ☆85Updated 5 months ago
• microsoft / aiida-dynamic-workflows
  An AiiDA plugin for dynamically defining workflows using Python functions
  ☆17Updated 3 years ago
• hackingmaterials / rocketsled
  plug-n-play black box optimizer for high-throughput computing
  ☆51Updated 2 years ago
• neo-chem / awesome-chemical-data
  Curated list of known efforts in collecting and/or curating of chemical/materials data
  ☆21Updated 4 years ago
• HECBioSim / Longbow
  Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run l…
  ☆17Updated 2 weeks ago
• materials-data-facility / scythe
  An extensible library of tools that extract metadata from scientific files
  ☆15Updated 2 years ago
• radical-cybertools / radical.pilot
  RADICAL-Pilot
  ☆63Updated last week
• metatensor / metatensor
  Self-describing sparse tensor data format for atomistic machine learning and beyond
  ☆87Updated 2 weeks ago
• glotzerlab / signac
  Manage large and heterogeneous data spaces on the file system.
  ☆135Updated this week
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆26Updated 3 years ago
• glotzerlab / signac-dashboard
  Rapidly visualize signac projects through a customizable dashboard interface.
  ☆16Updated this week
• orionarcher / pymatgen-io-openmm
  A Pymatgen IO module for setting up OpenMM simulations.
  ☆11Updated last year
• aspuru-guzik-group / funsies
  funsies is a lightweight workflow engine 🔧
  ☆41Updated 4 years ago
• jacksund / simmate
  Simmate is a full-stack framework for chemistry research.
  ☆36Updated this week
• blokhin / materials-informatics-tutorial
  A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data
  ☆16Updated 2 months ago
• nomad-coe / electronic-parsers
  ☆23Updated last week
• glotzerlab / plato
  Efficient visualization of particle data supporting several rendering engines.
  ☆14Updated 3 years ago
• epfl-theos / koopmans
  Implementation of Koopmans-compliant functionals in Quantum ESPRESSO
  ☆17Updated 3 weeks ago