SMILES parsing and molecule graph depiction
Project description
A library and accompanying program for parsing SMILES (simplified molecular-input line-entry system) strings and generating 2D depictions of chemical structures from these strings.
It was originally developed as part of a 3rd year computer science dissertation project.
Prerequisites
pydepict requires Python 3.7 or newer, and uses the following packages:
pygame
NetworkX
Specific versions of these libraries can be found in requirements.txt.
License
This library is licensed under the MIT Licence. See LICENSE for license and copyright details. Code files will also include a header explicitly stating that the license and copyright applies.
NetworkX is licensed under the 3-clause BSD license, while pygame is licensed under the GNU Lesser General Public License (LGPL). See LICENSE.networkx and LICENSE.pygame respectively for details.
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