Skip to main content

Chemical formula parser

Project description


Authors: Grayson Boyer and Victor Ignatenko

A lightweight package for parsing chemical formula strings into python dictionaries.


  • Convert a chemical formula string into a python dictionary.
    • example: "CH4" returns {"C":1.0, "H":4.0}
  • Handles fractional stoichiometry.
    • example: "C1.5O3" returns {"C":1.5, "O":3.0}
    • example: "H2e-1O1e-1" returns {"H":0.2, "O":0.1}
  • Handles groups with parentheses.
    • example: "(CH3)2(CH2)4" returns {"C":6.0, "H":14.0}
  • New in 2024: Chemparse now handles nested paretheses!
    • example: "((CH3)2)3" returns {'C': 6, 'H': 18}
  • New in 2024: Chemparse now handles square brackets
    • example: "K4[Fe(SCN)6]" returns {'Fe': 1.0, 'K': 4.0, 'N': 6.0, 'S': 6.0, 'C': 6.0}


Install chemparse with pip:

$ pip install chemparse


Import chemparse in python and use the parse_formula function:

import chemparse



Install python

Clone chemparse using git:
git clone

Go to the chemparse directory:
cd chemparse

Install requirements:
pip install -r requirements.txt

Now you are ready to contribute!

Project details

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

chemparse-0.3.1.tar.gz (5.5 kB view hashes)

Uploaded Source

Built Distribution

chemparse-0.3.1-py3-none-any.whl (5.9 kB view hashes)

Uploaded Python 3

Supported by

AWS AWS Cloud computing and Security Sponsor Datadog Datadog Monitoring Fastly Fastly CDN Google Google Download Analytics Microsoft Microsoft PSF Sponsor Pingdom Pingdom Monitoring Sentry Sentry Error logging StatusPage StatusPage Status page