Alternatives and similar repositories for executorlib

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

• materialsproject / jobflow
  jobflow is a library for writing computational workflows.
  ☆104Updated last week
• VlachosGroup / renview
  The Reaction Network Viewer (ReNView) generates a graphic representation of the reaction fluxes within the system essential for identifyi…
  ☆22Updated 11 months ago
• argonne-lcf / balsam
  High throughput workflows and automation for HPC
  ☆82Updated 3 weeks ago
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆45Updated this week
• elvissoares / PyDFTlj
  An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries
  ☆20Updated 9 months ago
• materialsproject / MPContribs
  Platform for materials scientists to contribute and disseminate their materials data through Materials Project
  ☆38Updated this week
• pyiron / pylammpsmpi
  Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
  ☆33Updated last week
• ExaWorks / psij-python
  ☆30Updated this week
• hpc-uk / build-instructions
  Contains build scripts and instructions for software on a variety of UK HPC resources
  ☆86Updated 2 months ago
• usnistgov / iprPy
  NIST Interatomic Potential Repository property calculation tools
  ☆24Updated last year
• microsoft / aiida-dynamic-workflows
  An AiiDA plugin for dynamically defining workflows using Python functions
  ☆17Updated 3 years ago
• MLMI2-CSSI / foundry
  Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry
  ☆81Updated last month
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆33Updated 2 months ago
• grimme-lab / qc2-teaching
  Resources for teaching quantum chemistry courses in Bonn
  ☆41Updated last month
• gustavochm / sgtpy
  ☆43Updated 2 months ago
• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆35Updated 2 weeks ago
• RMGDFT / rmgdft
  RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…
  ☆48Updated 2 weeks ago
• by256 / rdfpy
  A Python module for fast computation of 2D and 3D radial distribution functions (RDFs).
  ☆30Updated last year
• pyscal / pyscal3
  More efficient and faster version of pyscal
  ☆21Updated 2 months ago
• lanl / LATTE
  Developer repository for the LATTE code
  ☆45Updated 3 months ago
• bbye98 / mdcraft
  A Python assistant for performing and analyzing molecular dynamics simulations of soft matter systems
  ☆15Updated 3 weeks ago
• mir-group / flare_pp
  A many-body extension of the FLARE code.
  ☆36Updated 3 years ago
• nomad-coe / greenX
  Library for Green’s function based electronic structure theory calculations
  ☆25Updated last month
• PinwenGuan / JAX-TherMo
  A demo code for implementation of differentiable thermodynamic modeling in JAX.
  ☆10Updated 3 years ago
• pyiron / pyiron_meltingpoint
  A fully automated approach to determine the melting temperature of crystalline materials
  ☆20Updated 11 months ago
• ExaChem / exachem
  Open Source Exascale Computational Chemistry Software
  ☆25Updated last week
• RaulPPelaez / UAMMD
  A CUDA project for Molecular Dynamics, Brownian Dynamics, Hydrodynamics... intended to simulate a very generic system constructing a simu…
  ☆59Updated last week
• libAtoms / pymatnest
  Nested Sampling code
  ☆33Updated last month
• iDEA-org / iDEA
  interacting Dynamic Electrons Approach
  ☆27Updated 3 weeks ago
• ipqa-research / ugropy
  A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integr…
  ☆21Updated 2 weeks ago