ChemFormula
Chem formula parser
A Python class for working with chemical formulas, providing parsing, formatting, and calculation capabilities.
ChemFormula is a Python class for working with chemical formulas. It allows parsing chemical formulas, calculating formula weights for stoichiometric calculations, and generating formatted output strings (e.g. HTML).
25 stars
1 watching
2 forks
Language: Python
last commit: over 4 years agoLinked from 1 awesome list
chemical-formulaschemicalschemistrychemistry-databasechemistry-formulaspythonpython-librarypython-module
lmmentel/awesome-python-chemistryRelated projects:
| Repository | Description | Stars |
|---|---|---|
 cclib/cclib | A Python library for parsing and analyzing output files from computational chemistry packages | 339 |
 bjodah/chempy | A comprehensive Python package for chemistry calculations and properties | 560 |
 cgohlke/molmass | Calculates molecular properties from chemical formulas | 58 |
 theochem/iodata | A Python library for reading, writing, and converting various computational chemistry file formats. | 134 |
 digital-chemistry-laboratory/morfeus | A Python package for calculating molecular features. | 165 |
 opp11/chemtool | A command-line tool for calculating the molar mass of chemical compounds. | 1 |
 weisscharlesj/scicompforchemists | A comprehensive textbook and teaching resource on programming in Python with applications to chemistry | 236 |
 mcs07/molvs | Tool for validating and standardizing chemical structures to improve data quality and facilitate comparisons. | 163 |
 hachmannlab/chemml | A machine learning and informatics program suite for analyzing, mining, and modeling chemical and materials data. | 163 |
 fair-chem/fairchem | A collection of machine learning methods and tools for materials science and quantum chemistry. | 929 |
 chemplexity/chromatography | A toolbox providing functions for data analysis in chromatography and mass spectrometry, written in MATLAB. | 67 |
 chembl/chembl_structure_pipeline | A Python toolkit for standardizing and analyzing molecular structures in chemically relevant formats. | 197 |
 molssi/cookiecutter-cms | A Python-centric template for creating computational molecular sciences packages | 404 |
 sulstice/global-chem | A comprehensive dictionary of chemical names and their molecular definitions, providing transparent access to information on various substances | 21 |
 mrchemsoft/mrchem | A numerical real-space code for molecular electronic structure calculations. | 30 |