periodictable
This package provides a periodic table of the elements with support for mass, density and xray/neutron scattering information.
- Repository
- github.com/pkienzle/periodictable
Source attribution
- Awesome Python Chemistry — github.com/pkienzle/periodictable
Related resources
A library for building, manipulating, analyzing and automatic design of molecules, including a genetic algorithm.
ChemFormula provides a class for working with chemical formulas. It allows parsing chemical formulas, calculating formula weights, and generating formatted output strings (e.g. in HTML, LaTeX, or Unicode).
Ensemble of automated QM workflows that can be run through jupyter notebooks, command lines and yaml files.
A Python program to compute quasi-harmonic thermochemical data from Gaussian frequency calculations.
Hierarchical Generation of Molecular Graphs using Structural Motifs.
A package for working with nuclear magnetic resonance (NMR) data including functions for reading common binary file formats and processing NMR data.