Alternatives and similar repositories for executorlib:

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

• paolodeangelis / SEI_builder
  This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the cr…
  ☆11Updated 2 weeks ago
• pyscal / pyscal3
  More efficient and faster version of pyscal
  ☆21Updated 2 weeks ago
• bjmorgan / bsym
  A Basic Symmetry Module (Python)
  ☆16Updated 9 months ago
• elvissoares / PyDFTlj
  An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries
  ☆15Updated 5 months ago
• bbye98 / mdcraft
  A Python assistant for performing and analyzing molecular dynamics simulations of soft matter systems
  ☆14Updated this week
• pmla / auguste
  Minimum-strain symmetrization of Bravais lattices
  ☆17Updated 4 years ago
• Matgenix / jobflow-remote
  jobflow-remote is a Python package to run jobflow workflows on remote resources.
  ☆29Updated last week
• materialsproject / jobflow
  jobflow is a library for writing computational workflows.
  ☆102Updated last week
• Matgenix / turbomoleio
  Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…
  ☆20Updated 2 months ago
• pyiron / pyiron_base
  Core components of the pyiron integrated development environment (IDE) for computational materials science
  ☆21Updated this week
• chrisjsewell / ipymd
  Analysis of Molecular Dynamics output in the IPython Notebook
  ☆10Updated 8 years ago
• pyiron / pylammpsmpi
  Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
  ☆31Updated this week
• grimme-lab / qc2-teaching
  Resources for teaching quantum chemistry courses in Bonn
  ☆36Updated 9 months ago
• materialsproject / maggma
  Building blocks for scientific data pipelines
  ☆39Updated this week
• VlachosGroup / pMuTT
  Python Multiscale Thermochemistry Toolbox (pMuTT)
  ☆43Updated 3 months ago
• spglib / moyo
  Library for Crystal Symmetry in Rust
  ☆43Updated this week
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆45Updated this week
• IvanChernyshov / NistChemPy
  Python API for NIST Chemistry WebBook
  ☆36Updated 5 months ago
• microsoft / aiida-dynamic-workflows
  An AiiDA plugin for dynamically defining workflows using Python functions
  ☆17Updated 2 years ago
• aiidateam / aiida-tutorials
  AiiDA tutorials web site
  ☆24Updated 6 months ago
• Cascella-Group-UiO / HyMD
  Massively parallel hybrid particle-field molecular dynamics in Python.
  ☆27Updated 6 months ago
• MolSSI-MDI / MDI_Library
  A library that enables code interoperability via the MolSSI Driver Interface.
  ☆33Updated last month
• CPMD-code / CPMD
  The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-in…
  ☆42Updated 2 years ago
• usnistgov / iprPy
  NIST Interatomic Potential Repository property calculation tools
  ☆22Updated 10 months ago
• ExaWorks / psij-python
  ☆28Updated this week
• Madsen-s-research-group / neuralil-public-releases
  Public releases of the NeuralIL differentiable neural-network force field
  ☆13Updated 6 months ago
• ashtonmv / pyrho
  A real-space DFT code
  ☆16Updated 4 years ago
• lmmentel / ase-espresso
  ase interface for Quantum Espresso
  ☆21Updated 4 years ago