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mol2

Here are 3 public repositories matching this topic...

rasbt / biopandas

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Working with molecular structures in pandas DataFrames

bioinformatics pdb molecular-structures pandas-dataframe protein-structure molecule computational-biology drug-discovery molecules mol2 pdb-files

Updated Jul 30, 2021
Python

UnixJunkie / mol2ecfp4

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convert molecules to their ECFP4 fingerprint using rdkit

python-script rdkit sdf mol2 ecfp4

Updated Mar 16, 2017
Python

UnixJunkie / mol2-file-format-spec

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MOL2 file format specification

specification file-format mol2 reference-documentation

Updated Apr 24, 2017

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