Alternatives and similar repositories for koopmans

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

• mturiansky / abcv
  A python-based crystal viewer built upon the fresnel and pymatgen libraries.
  ☆16Updated last year
• pyiron / pylammpsmpi
  Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…
  ☆36Updated last week
• chrisjsewell / ase-notebook
  Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.
  ☆35Updated 3 years ago
• USCCACS / QXMD
  QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine
  ☆14Updated last year
• berquist / chargemol
  2017-09-26 Linux source.
  ☆20Updated 4 years ago
• ltalirz / atomistic-software
  Tracking citations of atomistic simulation engines
  ☆26Updated 2 weeks ago
• nomad-coe / electronic-parsers
  ☆23Updated last week
• wasserman-group / n2v
  n2v: Density-to-potential Inversion Suite
  ☆24Updated 3 years ago
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆26Updated 3 years ago
• pprcht / gfnff
  A standalone library of the GFN-FF method. Extracted in large parts from the xtb program.
  ☆16Updated last year
• QEF / qeschema
  ☆17Updated last year
• QEF / postqe
  ☆20Updated 2 years ago
• abelcarreras / posym
  Point symmetry analysis tool for theoretical chemistry objects
  ☆21Updated last month
• jevandezande / spectra
  A package for plotting and manipulating 1D spectra
  ☆12Updated last year
• jmsolano / denstoolkit
  DensToolKit is a suite of programs for analyzing the molecular electron density (ρ) and several fields derived from it. DTK also include…
  ☆19Updated 4 months ago
• bjmorgan / bsym
  A Basic Symmetry Module (Python)
  ☆17Updated 2 months ago
• dilkins / TENSOAP
  Public repository for symmetry-adapted Gaussian Process Regression (SA-GPR)
  ☆22Updated 11 months ago
• pyscal / pyscal3
  More efficient and faster version of pyscal
  ☆25Updated last week
• spglib / moyo
  Library for Crystal Symmetry in Rust
  ☆69Updated this 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…
  ☆21Updated last year
• aiida-phonopy / aiida-phonopy
  The official AiiDA plugin for Phonopy
  ☆20Updated last month
• lmmentel / ase-espresso
  ase interface for Quantum Espresso
  ☆22Updated 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…
  ☆16Updated 4 months ago
• patonlab / pyDFTD3
  Python version of Grimme's D3-dispersion correction for Gaussian input/output
  ☆19Updated 3 years ago
• zorkzou / UniMoVib
  a unified interface for molecular harmonic vibrational frequency calculations
  ☆33Updated 6 months ago
• zincware / molify
  Create atomistic structures with ASE, rdkit and packmol
  ☆23Updated this week
• giprayogo / SHRY
  A tool for generating unique ordered structures corresponding to a given disordered structure.
  ☆17Updated 2 years ago
• WMD-group / kgrid
  Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations
  ☆23Updated 3 years ago
• osscar-org / jupyterlab-mol-visualizer
  A JupyterLab launcher extension to view the molecular orbitals.
  ☆19Updated last year
• MihailBogojeski / ml-dft
  A package for density functional approximation using machine learning.
  ☆27Updated 5 years ago