openbabel

Package — ScientificPython 3.7+Expert

Chemical toolbox: format conversion, search, fingerprints

Quick Info

Documentation: Official Docs
Python Version: 3.7+
Dependencies: None (C++ library; use conda)
Install: conda install -c conda-forge openbabel

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Easy2 examples

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Intermediate1 example

Quick Example

python

# Install: conda install -c conda-forge openbabel
import openbabel

# Basic openbabel usage
print(f"Using openbabel")
# See documentation for detailed examples

openbabel is a third-party package. Chemical toolbox: format conversion, search, fingerprints. Install with: conda install -c conda-forge openbabel

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openbabel

Quick Info

Learn by Difficulty

Quick Example

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