periodictable

github.com/pkienzle/periodictable
Active173updated 2 months ago
Python
NOASSERTION

This package provides a periodic table of the elements with support for mass, density and xray/neutron scattering information.

Sourced from

  • GitHubgithub.com/pkienzle/periodictable
  • Awesome Python Chemistrygithub.com/pkienzle/periodictable

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