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
  ☆23Updated 4 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
• materialsproject / jobflow
  jobflow is a library for writing computational workflows.
  ☆116Updated last week
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆46Updated this week
• diffpy / pyobjcryst
  Python bindings to ObjCryst++ Object-Oriented Crystallographic Library
  ☆17Updated last month
• 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 2 months ago
• epfl-theos / koopmans
  Implementation of Koopmans-compliant functionals in Quantum ESPRESSO
  ☆17Updated last month
• jacksund / simmate
  Simmate is a full-stack framework for chemistry research.
  ☆36Updated last week
• pyiron / executorlib
  Up-scale python functions for high-performance computing (HPC)
  ☆58Updated last week
• bjmorgan / bsym
  A Basic Symmetry Module (Python)
  ☆17Updated last month
• mala-project / mala
  Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.
  ☆97Updated 3 months ago
• osscar-org / jupyterlab-mol-visualizer
  A JupyterLab launcher extension to view the molecular orbitals.
  ☆19Updated last year
• LaurentRDC / crystals
  Data structures, algorithms, and parsing for crystallography
  ☆52Updated 11 months ago
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆26Updated 3 years ago
• ncfrey / pytopomat
  Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.
  ☆30Updated 4 years ago
• glotzerlab / signac-flow
  Workflow management for signac-managed data spaces.
  ☆48Updated 4 months ago
• lanl / qmd-progress
  PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.
  ☆26Updated last week
• PhasesResearchLab / ESPEI
  Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59
  ☆77Updated 2 weeks ago
• NWChemEx / NWChemEx
  A top-level, user-focused, conglomerate repo for the NWChemEx project.
  ☆18Updated 2 weeks ago
• pele-python / pele
  Python energy landscape explorer
  ☆99Updated last month
• fekad / jupyter-jsmol
  This is JSmol viewer widget for Jupyter Notebooks and JupyterLab
  ☆33Updated 2 years ago
• tilde-lab / tilde
  Materials informatics framework for ab initio data repositories
  ☆18Updated 3 years ago
• chrisjsewell / ase-notebook
  Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.
  ☆34Updated 3 years ago
• CCQC / Quax
  Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.
  ☆70Updated last year
• JuDFTteam / masci-tools
  Post-processing toolkit for electronic structure calculations
  ☆18Updated 3 weeks ago
• lmmentel / ase-espresso
  ase interface for Quantum Espresso
  ☆22Updated 4 years ago
• wolverton-research-group / periodic-table-plotter
  Make periodic table map plots and pettifor-style trend plots.
  ☆28Updated 7 years ago
• LCPQ / quantum_package
  Set of quantum chemistry programs and libraries
  ☆44Updated 5 years ago
• times-software / feff10
  ☆30Updated last month