/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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