Alternatives and similar repositories for signac-flow

Users that are interested in signac-flow are comparing it to the libraries listed below

• glotzerlab / signac
  Manage large and heterogeneous data spaces on the file system.
  ☆135Updated this week
• glotzerlab / signac-examples
  Examples for the signac framework.
  ☆15Updated last week
• glotzerlab / signac-dashboard
  Rapidly visualize signac projects through a customizable dashboard interface.
  ☆16Updated this week
• glotzerlab / gsd
  Read and write GSD files for use with HOOMD-blue.
  ☆27Updated this week
• rsdefever / ele
  A lightweight package with the periodic table of the elements
  ☆12Updated 4 years 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
• materialsproject / jobflow
  jobflow is a library for writing computational workflows.
  ☆112Updated last week
• glotzerlab / freud
  Powerful, efficient particle trajectory analysis in scientific Python.
  ☆304Updated this week
• radical-cybertools / radical.pilot
  RADICAL-Pilot
  ☆63Updated last week
• ur-whitelab / hoomd-tf
  A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD
  ☆33Updated last year
• exalearn / colmena
  Library for steering campaigns of simulations on supercomputers
  ☆58Updated 4 months ago
• hackingmaterials / rocketsled
  plug-n-play black box optimizer for high-throughput computing
  ☆51Updated 2 years ago
• joaander / hoomd-blue
  ☆19Updated 2 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
• votca / xtp
  GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…
  ☆29Updated 4 years ago
• nexusformat / definitions
  Definitions of the NeXus Standard File Structure and Contents
  ☆27Updated last week
• mlund / faunus
  A Framework for Metropolis Monte Carlo Simulation of Molecular Systems
  ☆72Updated last month
• ExaWorks / psij-python
  ☆30Updated last week
• aspuru-guzik-group / funsies
  funsies is a lightweight workflow engine 🔧
  ☆41Updated 4 years ago
• GOMC-WSU / GOMC
  GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems
  ☆84Updated this week
• SSAGESproject / SSAGES
  Software Suite for Advanced General Ensemble Simulations
  ☆90Updated 2 years ago
• pyiron / pysqa
  Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
  ☆31Updated this week
• markovmodel / variational
  Basis sets, estimators and solvers for the variational approach of conformation dynamics. NOTE: the code has been merged with PyEMMA and …
  ☆10Updated 8 years ago
• psi4 / gau2grid
  Fast computation of a gaussian and its derivative on a grid.
  ☆31Updated last month
• chemreac / chemreac
  Library for chemical kinetics in homogeneous or isotropically symmetric inhomogenous systems.
  ☆14Updated 2 years ago
• dftd3 / simple-dftd3
  Library first implementation of the D3 dispersion correction
  ☆71Updated 2 months ago
• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆35Updated 3 months ago
• mphowardlab / gsd-vmd
  A VMD molfile plugin reader for HOOMD-blue GSD files.
  ☆20Updated 11 months ago
• pele-python / pele
  Python energy landscape explorer
  ☆98Updated last week