Alternatives and similar repositories for rocketsled

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

• usnistgov / iprPy
  NIST Interatomic Potential Repository property calculation tools
  ☆24Updated 3 months ago
• bjmorgan / lattice_mc
  Lattice gas Monte Carlo simulation code
  ☆35Updated 5 years ago
• TRI-AMDD / CAMD
  Agent-based sequential learning software for materials discovery
  ☆63Updated last year
• pele-python / pele
  Python energy landscape explorer
  ☆98Updated last month
• materialsproject / jobflow
  jobflow is a library for writing computational workflows.
  ☆113Updated last week
• diffpy / pyobjcryst
  Python bindings to ObjCryst++ Object-Oriented Crystallographic Library
  ☆17Updated 3 months ago
• mala-project / mala
  Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.
  ☆97Updated 2 months ago
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆46Updated last week
• MLMI2-CSSI / foundry
  Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry
  ☆85Updated 5 months ago
• NWChemEx / NWChemEx
  A top-level, user-focused, conglomerate repo for the NWChemEx project.
  ☆15Updated this week
• lmmentel / ase-espresso
  ase interface for Quantum Espresso
  ☆22Updated 4 years ago
• glotzerlab / freud-examples
  Examples for the freud library.
  ☆14Updated this week
• lanl / qmd-progress
  PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.
  ☆26Updated 2 weeks ago
• abinit / pseudo_dojo
  Python framework for generating and validating pseudo potentials
  ☆48Updated 2 years ago
• bjmorgan / bsym
  A Basic Symmetry Module (Python)
  ☆17Updated 2 weeks 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…
  ☆26Updated last month
• fekad / jupyter-jsmol
  This is JSmol viewer widget for Jupyter Notebooks and JupyterLab
  ☆33Updated 2 years ago
• materials-data-facility / scythe
  An extensible library of tools that extract metadata from scientific files
  ☆15Updated 2 years ago
• LLNL / inq
  This is a mirror. Please check our main website on gitlab.
  ☆29Updated this week
• wolverton-research-group / periodic-table-plotter
  Make periodic table map plots and pettifor-style trend plots.
  ☆28Updated 7 years ago
• pyiron / pysqa
  Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
  ☆31Updated this week
• google / differentiable-atomistic-potentials
  Automatically differentiable atomistic potentials for molecular simulations
  ☆56Updated 7 years ago
• epfl-theos / koopmans
  Implementation of Koopmans-compliant functionals in Quantum ESPRESSO
  ☆17Updated last month
• times-software / feff10
  ☆29Updated last month
• grimme-lab / gcp
  Geometrical Counter-Poise Correction
  ☆13Updated last year
• libAtoms / pymatnest
  Nested Sampling code
  ☆34Updated 5 months ago
• glotzerlab / signac-flow
  Workflow management for signac-managed data spaces.
  ☆48Updated 3 months ago
• aspuru-guzik-group / funsies
  funsies is a lightweight workflow engine 🔧
  ☆41Updated 4 years ago
• osscar-org / jupyterlab-mol-visualizer
  A JupyterLab launcher extension to view the molecular orbitals.
  ☆19Updated last year
• pyiron / executorlib
  Up-scale python functions for high-performance computing (HPC)
  ☆54Updated this week