chempy
Chem calculator
A comprehensive Python package for chemistry calculations and properties
⚗ A package useful for chemistry written in Python
560 stars
19 watching
80 forks
Language: Python
last commit: about 2 years agoLinked from 1 awesome list
chemical-formulaschemical-kineticschemical-reaction-modelchemistryphysical-chemistrypythonspeciation
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