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 11 months ago
• pyscal / pyscal3
  More efficient and faster version of pyscal
  ☆21Updated 2 months ago
• aiidalab / aiidalab
  Implements core functions for AiiDAlab.
  ☆16Updated this week
• nomad-coe / electronic-parsers
  ☆20Updated this week
• nanotech-empa / aiida-gaussian
  AiiDA plugin for Gaussian quantum chemistry software
  ☆11Updated last month
• chrisjsewell / ase-notebook
  Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.
  ☆31Updated 2 years ago
• ltalirz / atomistic-software
  Tracking citations of atomistic simulation engines
  ☆20Updated 3 weeks 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…
  ☆20Updated 3 months ago
• pprcht / gfnff
  A standalone library of the GFN-FF method. Extracted in large parts from the xtb program.
  ☆13Updated 3 months ago
• tcnicholas / chic
  Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…
  ☆12Updated 5 months ago
• bjmorgan / bsym
  A Basic Symmetry Module (Python)
  ☆17Updated last month
• aiida-phonopy / aiida-phonopy
  Phonon for AiiDA
  ☆19Updated 2 months ago
• berquist / chargemol
  2017-09-26 Linux source.
  ☆13Updated 3 years ago
• symfc / symfc
  Generate symmetrized force constants
  ☆21Updated last week
• pyiron / pylammpsmpi
  Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
  ☆33Updated this week
• stfc / aiida-mlip
  machine learning interatomic potentials aiida plugin
  ☆9Updated last week
• dftd4 / tad-dftd4
  PyTorch Autodiff DFT-D4 Implementation.
  ☆19Updated 3 weeks ago
• osscar-org / jupyterlab-mol-visualizer
  A JupyterLab launcher extension to view the molecular orbitals.
  ☆17Updated 8 months ago
• orionarcher / pymatgen-io-openmm
  A Pymatgen IO module for setting up OpenMM simulations.
  ☆11Updated last year
• materialsproject / foundation
  ☆17Updated last month
• BlauGroup / HiPRGen
  ☆25Updated 6 months ago
• lcmd-epfl / volcanic
  A program to automatically generate volcano plots for catalysis.
  ☆13Updated 5 months ago
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆26Updated 2 years ago
• muhrin / milad
  Moment Invariants Local Atomic Descriptor
  ☆32Updated 8 months ago
• dftd3 / tad-dftd3
  PyTorch Autodiff DFT-D3 Implementation.
  ☆18Updated 3 weeks ago
• aiida-vasp / parsevasp
  A general parser for VASP
  ☆13Updated last week
• QEF / qeschema
  ☆14Updated 11 months ago
• BlauGroup / mrnet
  Mr. Network is a python reaction-network for molecular systems
  ☆11Updated 2 years ago
• atomisticnet / xas-tools
  Tools related to X-ray absorption spectroscopy (XAS)
  ☆19Updated 10 months ago
• Madsen-s-research-group / neuralil-public-releases
  Public releases of the NeuralIL differentiable neural-network force field
  ☆13Updated 8 months ago