/tools/mol_frame
mol_frame
apahl/mol_frame
34 stars11 forksJupyter NotebookAdded February 4, 2026
summary
MolFrames is a Python module designed for handling chemical structures in Pandas DataFrames, allowing for efficient operations on large molecular datasets. It includes a pipelining workflow for processing molecular data and integrates with RDKit for chemical functionality.
description
Chemical Structure Handling for Pandas DataFrames
topics
pandasrdkit
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