Alternatives and similar repositories for coxeter

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

• materialsproject / maggma
  Building blocks for scientific data pipelines
  ☆42Updated last week
• materialsproject / jobflow
  jobflow is a library for writing computational workflows.
  ☆106Updated last week
• spglib / moyo
  Library for Crystal Symmetry in Rust
  ☆55Updated this week
• FrederikLizakJohansen / DebyeCalculator
  A vectorised implementation of the Debye Scattering Equation on CPU and GPU
  ☆33Updated 8 months ago
• superstar54 / weas-widget
  A widget to visualize and edit atomic structures in Jupyter Notebook
  ☆37Updated 6 months ago
• ur-whitelab / hoomd-tf
  A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD
  ☆32Updated last year
• evangelistalab / fortecubeview
  A simple cube file viewer based on pythreejs
  ☆24Updated last year
• chrisjsewell / ase-notebook
  Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.
  ☆34Updated 2 years ago
• metatensor / metatensor
  Self-describing sparse tensor data format for atomistic machine learning and beyond
  ☆81Updated this week
• robashaw / basisopt
  Basis set optimization library for quantum chemistry
  ☆35Updated 2 months ago
• nomad-coe / electronic-parsers
  ☆23Updated 2 weeks ago
• openkim / kliff
  KIM-based Learning-Integrated Fitting Framework for interatomic potentials.
  ☆38Updated 3 weeks ago
• apax-hub / apax
  A flexible and performant framework for training machine learning potentials.
  ☆28Updated last week
• pdebuyl-lab / tidynamics
  A tiny package to compute the dynamics of stochastic and molecular simulations
  ☆28Updated 2 years ago
• lab-cosmo / librascal
  A scalable and versatile library to generate representations for atomic-scale learning
  ☆82Updated last year
• pyscal / pyscal3
  More efficient and faster version of pyscal
  ☆21Updated 3 months ago
• materialsproject / pyrho
  ☆40Updated this week
• cmelab / GIXStapose
  An interactive structure viewer alongside its simulated diffraction pattern
  ☆18Updated 3 weeks ago
• m3g / Packmol.jl
  The future of Packmol
  ☆37Updated 3 months ago
• rk-lindsey / chimes_calculator
  Tools to interface ChIMES with various external codes.
  ☆22Updated last week
• JiashuLiang / GSCDB138
  Gold-Standard Chemical Database 138 (GSCDB138)
  ☆16Updated this week
• metatensor / featomic
  Computing representations for atomistic machine learning
  ☆73Updated this week
• psi4 / gau2grid
  Fast computation of a gaussian and its derivative on a grid.
  ☆30Updated 2 months ago
• libAtoms / extxyz
  Extended XYZ specification and parsers
  ☆20Updated last year
• funkymunkycool / Cube-Toolz
  Python tool to manipulate Gaussian cube files
  ☆44Updated 2 years ago
• openkim / kimpy
  Python interface to the KIM API. See https://openkim.org/kim-api for more information about the KIM API.
  ☆16Updated this week
• Cascella-Group-UiO / HyMD
  Massively parallel hybrid particle-field molecular dynamics in Python.
  ☆29Updated 11 months ago
• zorkzou / UniMoVib
  a unified interface for molecular harmonic vibrational frequency calculations
  ☆31Updated last month
• mosdef-hub / gmso
  Flexible storage of chemical topology for molecular simulation
  ☆63Updated last week
• PabloPiaggi / EnvironmentFinder
  Tool for finding atomic environments in crystal structures
  ☆22Updated 3 months ago