A Python package for streamlined preparation of protein structures and drug-like molecules for virtual screening workflows
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MolPrep
A Python package designed to streamline the preparation of protein structures and drug-like molecules for virtual screening workflows. MolPrep provides an intuitive drag-and-drop interface for building and executing sequential processing pipelines.
Installation
pip install molprep
Development Installation
git clone https://github.com/abhishektiwari/molprep.git
cd molprep
pip install -e ".[dev]"
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