Alternatives and similar repositories for OCEAN

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

• times-software / Corvus
  ☆12Updated last month
• times-software / feff10
  ☆30Updated last month
• tinaw / pyFDMNES
  python wrapper for fdmnes data input/output
  ☆13Updated 4 years ago
• osscar-org / widget-bandsplot
  A Jupyter widget to plot bandstructure and density of states.
  ☆17Updated last year
• JuDFTteam / aiida-fleur
  AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calcula…
  ☆14Updated last month
• npaulson / pduq
  Python package for uncertainty quantification in CALPHAD
  ☆12Updated last year
• yambo-code / yambopy
  Python scripts to manage and postprocess quantum espresso and yambo calculation.
  ☆17Updated this week
• mretegan / crispy
  Core-Level Spectroscopy Simulations in Python
  ☆42Updated 11 months ago
• GHlacour / NISE_2017
  This is the current development version of a quantum classical package for calculating coherent multidimensional spectra (as FTIR, SFG, 2…
  ☆14Updated 2 weeks ago
• gudasergey / pyFitIt
  Python implementation of FitIt software to fit X-ray absorption near edge structure (XANES) extended with additional features.
  ☆41Updated last year
• pylada / pylada-light
  A physics computational framework for python and ipython
  ☆38Updated 5 months ago
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆47Updated this week
• xraypy / xraylarch
  Larch: Applications and Python Library for Data Analysis of X-ray Absorption Spectroscopy (XAS, XANES, XAFS, EXAFS), X-ray Fluorescence (…
  ☆165Updated 2 weeks ago
• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆35Updated last month
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆154Updated this week
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆94Updated 5 months ago
• deepmodeling / tutorials
  Tutorials for DeepModeling projects.
  ☆15Updated 9 months ago
• osscar-org / jupyterlab-mol-visualizer
  A JupyterLab launcher extension to view the molecular orbitals.
  ☆19Updated last year
• hidecode221b / LG4X
  A graphical user interface of Python lmfit package was developed for standard X-ray photoemission spectroscopy (XPS) curve fitting analys…
  ☆54Updated 6 months ago
• radi0sus / orca_ir
  Plots IR spectra from from ORCA output files
  ☆22Updated last year
• sozykinsa / GUI4dft
  GUI4dft - first free SIESTA oriented GUI
  ☆27Updated 2 months ago
• Probe-Particle / ppafm
  Classical force field model for simulating atomic force microscopy images.
  ☆62Updated this week
• materialsproject / MPContribs
  Platform for materials scientists to contribute and disseminate their materials data through Materials Project
  ☆39Updated this week
• jevandezande / spectra
  A package for plotting and manipulating 1D spectra
  ☆12Updated last year
• JuDFTteam / aiida-kkr
  AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calcula…
  ☆15Updated 4 months ago
• aiidateam / aiida-tutorials
  AiiDA tutorials web site
  ☆24Updated 3 months ago
• tproffen / DiffuseCode
  Suite of programs to simulate disordered and nanomaterials
  ☆61Updated last week
• raman-noodles / Raman-noodles
  Repository containing code for analysis of Raman and IR spectra datasets
  ☆27Updated 5 years ago
• coudertlab / elate
  ELATE: Elastic tensor analysis
  ☆89Updated 3 months ago
• USCCACS / RXMD
  RXMD : Linear-Scaling Parallel Reactive Molecular Dynamics Simulation Engine
  ☆26Updated 3 weeks ago