lmmentel / mendeleevLinks
A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.
☆263Updated 3 months ago
Alternatives and similar repositories for mendeleev
Users that are interested in mendeleev are comparing it to the libraries listed below
Sorting:
- Materials science with Python at the atomic-scale☆217Updated this week
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆259Updated last year
- This is a simple script to plot energy profile diagrams using Python and matplotlib.☆174Updated last month
- A simple, robust and flexible just-in-time job management framework in Python.☆160Updated 2 weeks ago
- A code to generate atomic structure with symmetry☆335Updated last month
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆195Updated last month
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆260Updated 2 weeks ago
- General purpose tools for high-throughput catalysis☆96Updated 3 months ago
- C library for finding and handling crystal symmetries☆332Updated last week
- Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.☆183Updated last week
- Open-source library for analyzing the results produced by ABINIT☆126Updated this week
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆212Updated last week
- SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python☆150Updated last week
- Periodic table, physical constants, and molecule parsing for quantum chemistry.☆170Updated 3 weeks ago
- Atomistic Manipulation Toolkit☆90Updated last month
- 1D density functional theory code in Python☆135Updated 2 years ago
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆367Updated 4 months ago
- pyiron - an integrated development environment (IDE) for computational materials science.☆422Updated this week
- This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful u…☆82Updated 2 weeks ago
- Python script to plot periodic trends as a heat map over the periodic table of elements☆105Updated last month
- DFTB+ general package for performing fast atomistic simulations☆385Updated 2 weeks ago
- The database of chemical parameters used with Reaction Mechanism Generator☆114Updated last week
- A framework for processing adsorption data and isotherm fitting☆74Updated 6 months ago
- A simulation package of phonon-phonon interaction related properties☆145Updated last week
- i-PI: a universal force engine☆269Updated 2 weeks ago
- atomate2 is a library of computational materials science workflows☆243Updated this week
- A minimalistic atomic Density Functional Theory (DFT) code☆139Updated this week
- Software for generating machine-learning interatomic potentials for LAMMPS☆176Updated 2 weeks ago
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆108Updated 11 months ago
- Powerful, efficient particle trajectory analysis in scientific Python.☆301Updated this week