Alternatives and similar repositories for OCEAN

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

• times-software / Corvus
  ☆12Updated this week
• times-software / feff10
  ☆27Updated last month
• tinaw / pyFDMNES
  python wrapper for fdmnes data input/output
  ☆13Updated 4 years ago
• GHlacour / NISE_2017
  This is the current development version of a quantum classical package for calculating coherent multidimensional spectra (as FTIR, SFG, 2…
  ☆13Updated 2 months ago
• npaulson / pduq
  Python package for uncertainty quantification in CALPHAD
  ☆12Updated 8 months ago
• tproffen / DiffuseCode
  Suite of programs to simulate disordered and nanomaterials
  ☆58Updated last week
• NWChemEx / NWChemEx
  A top-level, user-focused, conglomerate repo for the NWChemEx project.
  ☆13Updated 2 weeks ago
• gudasergey / pyFitIt
  Python implementation of FitIt software to fit X-ray absorption near edge structure (XANES) extended with additional features.
  ☆37Updated 8 months ago
• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆34Updated last month
• yambo-code / yambopy
  Python scripts to manage and postprocess quantum espresso and yambo calculation.
  ☆16Updated this week
• coudertlab / elate
  ELATE: Elastic tensor analysis
  ☆84Updated last year
• pylada / pylada-light
  A physics computational framework for python and ipython
  ☆38Updated last month
• xraypy / xraylarch
  Larch: Applications and Python Library for Data Analysis of X-ray Absorption Spectroscopy (XAS, XANES, XAFS, EXAFS), X-ray Fluorescence (…
  ☆156Updated this week
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆46Updated this week
• lammps / pizza
  Pizza.py is a loosely integrated collection of tools written in Python, many of which provide pre- and post-processing capability for th…
  ☆67Updated 4 years ago
• JuDFTteam / aiida-kkr
  AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calcula…
  ☆14Updated 2 weeks ago
• radi0sus / orca_ir
  Plots IR spectra from from ORCA output files
  ☆22Updated 10 months ago
• symmy596 / SurfinPy
  Thermodynamic Phase Diagram Generator
  ☆55Updated 3 years ago
• wright-group / WrightTools
  Tools for loading, processing, and plotting multidimensional spectroscopy data.
  ☆18Updated 2 weeks ago
• abinit / pseudo_dojo
  Python framework for generating and validating pseudo potentials
  ☆45Updated last year
• QEF / postqe
  ☆20Updated 2 years ago
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆90Updated 3 weeks ago
• mretegan / crispy
  Core-Level Spectroscopy Simulations in Python
  ☆42Updated 7 months ago
• epfl-theos / koopmans
  Implementation of Koopmans-compliant functionals in Quantum ESPRESSO
  ☆17Updated 2 weeks ago
• usnistgov / iprPy
  NIST Interatomic Potential Repository property calculation tools
  ☆24Updated 3 weeks ago
• brandongc / lfdft
  Density Functional Theory with Finite Difference and Lagrange Function Basis Sets
  ☆14Updated 9 years ago
• lmhale99 / atomman
  Atomistic Manipulation Toolkit
  ☆36Updated this week
• romerogroup / MechElastic
  A Python library to calculate elastic properties of materials.
  ☆59Updated last month
• jevandezande / spectra
  A package for plotting and manipulating 1D spectra
  ☆11Updated last year
• xnx / pyvalem
  A Python package for managing simple chemical species and states
  ☆20Updated 7 months ago