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
• chrisjsewell / ase-notebook
  Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.
  ☆34Updated 2 years ago
• nomad-coe / electronic-parsers
  ☆23Updated 3 weeks ago
• jevandezande / spectra
  A package for plotting and manipulating 1D spectra
  ☆11Updated last year
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆26Updated 3 years ago
• osscar-org / jupyterlab-mol-visualizer
  A JupyterLab launcher extension to view the molecular orbitals.
  ☆19Updated last year
• wasserman-group / n2v
  n2v: Density-to-potential Inversion Suite
  ☆23Updated 3 years ago
• pyiron / pylammpsmpi
  Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
  ☆33Updated this week
• materialsproject / pyrho
  ☆40Updated this week
• bjmorgan / bsym
  A Basic Symmetry Module (Python)
  ☆17Updated 5 months ago
• 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 7 months ago
• pyscal / pyscal3
  More efficient and faster version of pyscal
  ☆22Updated 4 months ago
• aoterodelaroza / refdata
  Benchmark data for density-functional theory method development.
  ☆15Updated last month
• lan496 / crystal-symmetry-primer
  Primer of crystal symmetry and space group
  ☆16Updated 2 years ago
• materialsproject / foundation
  ☆17Updated 5 months ago
• abelcarreras / posym
  Point symmetry analysis tool for theoretical chemistry objects
  ☆20Updated 6 months ago
• pprcht / gfnff
  A standalone library of the GFN-FF method. Extracted in large parts from the xtb program.
  ☆14Updated 7 months ago
• molsturm / molsturm
  A modular electronic structure theory code
  ☆21Updated 7 years ago
• ltalirz / atomistic-software
  Tracking citations of atomistic simulation engines
  ☆24Updated this week
• lmmentel / ase-espresso
  ase interface for Quantum Espresso
  ☆22Updated 4 years ago
• dilkins / TENSOAP
  Public repository for symmetry-adapted Gaussian Process Regression (SA-GPR)
  ☆20Updated 7 months ago
• orionarcher / pymatgen-io-openmm
  A Pymatgen IO module for setting up OpenMM simulations.
  ☆11Updated last year
• pmla / auguste
  Minimum-strain symmetrization of Bravais lattices
  ☆18Updated 5 years ago
• metatensor / metatrain
  Training and evaluating machine learning models for atomistic systems.
  ☆43Updated last week
• grimme-lab / gcp
  Geometrical Counter-Poise Correction
  ☆11Updated 9 months ago
• molmod / tamkin
  TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.
  ☆23Updated last year
• obackhouse / gmtkn
  GMTKN test sets in python
  ☆11Updated 3 years ago
• giprayogo / SHRY
  A tool for generating unique ordered structures corresponding to a given disordered structure.
  ☆17Updated last year
• QEF / postqe
  ☆20Updated 2 years ago
• usnistgov / intermat
  Project to setup and analyze interface calculations using density functional theory.
  ☆22Updated last week