Alternatives and similar repositories for pyobjcryst

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

• osscar-org / jupyterlab-mol-visualizer
  A JupyterLab launcher extension to view the molecular orbitals.
  ☆19Updated last year
• chrisjsewell / ase-notebook
  Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.
  ☆34Updated 3 years 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 11 months ago
• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆35Updated last month
• mpds-io / mpds-api
  Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…
  ☆26Updated 2 months ago
• usnistgov / iprPy
  NIST Interatomic Potential Repository property calculation tools
  ☆23Updated 4 months ago
• NWChemEx / NWChemEx
  A top-level, user-focused, conglomerate repo for the NWChemEx project.
  ☆18Updated 2 weeks ago
• jevandezande / spectra
  A package for plotting and manipulating 1D spectra
  ☆12Updated last year
• JuDFTteam / masci-tools
  Post-processing toolkit for electronic structure calculations
  ☆18Updated 3 weeks ago
• aiidateam / aiida-tutorials
  AiiDA tutorials web site
  ☆24Updated 2 months ago
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆68Updated 11 months ago
• AI-multimodal / Lightshow
  A one-stop-shop for handling data in computational spectroscopy
  ☆17Updated last month
• epfl-theos / koopmans
  Implementation of Koopmans-compliant functionals in Quantum ESPRESSO
  ☆17Updated last month
• Materials-Consortia / OPTIMADE
  Specification of a common REST API for access to materials databases
  ☆98Updated last week
• abinit / pseudo_dojo
  Python framework for generating and validating pseudo potentials
  ☆50Updated 2 years ago
• bjmorgan / bsym
  A Basic Symmetry Module (Python)
  ☆17Updated last month
• nomad-coe / electronic-parsers
  ☆23Updated last week
• hackingmaterials / rocketsled
  plug-n-play black box optimizer for high-throughput computing
  ☆51Updated 2 years ago
• dftd3 / simple-dftd3
  Library first implementation of the D3 dispersion correction
  ☆76Updated 4 months ago
• peverati / ACCDB
  A Computational Chemistry DataBase
  ☆45Updated 4 years ago
• lmhale99 / atomman
  Atomistic Manipulation Toolkit
  ☆36Updated 4 months ago
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆46Updated this week
• aiidalab / aiidalab
  Implements core functions for AiiDAlab.
  ☆17Updated 3 weeks ago
• JuDFTteam / aiida-fleur
  AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calcula…
  ☆14Updated 3 weeks ago
• qmcurrents / gimic
  Gauge-including magnetically induced currents.
  ☆31Updated 2 years ago
• RMGDFT / rmgdft
  RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…
  ☆55Updated last week
• lmmentel / ase-espresso
  ase interface for Quantum Espresso
  ☆22Updated 4 years ago
• anooplab / pyar
  Python program for aggregation and reaction
  ☆23Updated last year
• blokhin / cif-js-engines
  Browser plugin-free CIF visualization: comparison of the open-source engines
  ☆22Updated 5 years ago
• pylada / pylada-light
  A physics computational framework for python and ipython
  ☆38Updated 5 months ago