Alternatives and similar repositories for mendeleev:

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

• giacomomarchioro / PyEnergyDiagrams
  This is a simple script to plot energy profile diagrams using Python and matplotlib.
  ☆158Updated 10 months ago
• hackingmaterials / atomate
  atomate is a powerful software for computational materials science and contains pre-built workflows.
  ☆250Updated 7 months ago
• materialsvirtuallab / matgenb
  Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
  ☆239Updated 7 months ago
• MolSSI / QCElemental
  Periodic table, physical constants, and molecule parsing for quantum chemistry.
  ☆156Updated last month
• MaterSim / PyXtal
  A code to generate atomic structure with symmetry
  ☆301Updated last week
• spglib / spglib
  C library for finding and handling crystal symmetries
  ☆305Updated this week
• dftd4 / dftd4
  Generally Applicable Atomic-Charge Dependent London Dispersion Correction
  ☆173Updated last month
• libAtoms / matscipy
  Materials science with Python at the atomic-scale
  ☆204Updated last month
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆90Updated 8 months ago
• python-periodictable / periodictable
  Extensible periodic table for python
  ☆152Updated 2 months ago
• materialsvirtuallab / maml
  Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
  ☆393Updated last week
• dftbplus / dftbplus
  DFTB+ general package for performing fast atomistic simulations
  ☆349Updated last week
• zerothi / sisl
  Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
  ☆203Updated this week
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆131Updated this week
• MolSSI-BSE / basis_set_exchange
  A repository for quantum chemistry basis sets
  ☆166Updated 2 weeks ago
• mosdef-hub / mbuild
  A hierarchical, component based molecule builder
  ☆185Updated this week
• janosh / pymatviz
  A toolkit for visualizations in materials informatics.
  ☆192Updated this week
• wolverton-research-group / qmpy
  A suite of computational materials science tools.
  ☆135Updated 11 months ago
• CompPhysVienna / n2p2
  n2p2 - A Neural Network Potential Package
  ☆233Updated 3 weeks ago
• SINGROUP / dscribe
  DScribe is a python package for creating machine learning descriptors for atomistic systems.
  ☆418Updated 2 months ago
• i-pi / i-pi
  i-PI: a universal force engine
  ☆250Updated last week
• psi4 / psi4numpy
  Combining Psi4 and Numpy for education and development.
  ☆358Updated last year
• materialsproject / atomate2
  atomate2 is a library of computational materials science workflows
  ☆195Updated this week
• Andrew-S-Rosen / periodic_trends
  Python script to plot periodic trends as a heat map over the periodic table of elements
  ☆92Updated last year
• theochem / tinydft
  A minimalistic atomic Density Functional Theory (DFT) code
  ☆130Updated this week
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆84Updated 2 weeks ago
• anthony-wang / BestPractices
  Things that you should (and should not) do in your Materials Informatics research.
  ☆183Updated last year
• phonopy / phonopy
  Phonon code
  ☆382Updated this week
• weisscharlesj / SciCompforChemists
  Scientific Computing for Chemists is a free text for teaching basic computing skills to chemists using Python, Jupyter notebooks, and the…
  ☆248Updated this week
• materialsproject / crystaltoolkit
  Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.
  ☆165Updated last week