BioPandas / biopandas Star 697 Code Issues Pull requests Discussions 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 May 6, 2024 Python
UnixJunkie / mol2ecfp4 Star 8 Code Issues Pull requests convert molecules to their ECFP4 fingerprint using rdkit python-script rdkit sdf mol2 ecfp4 Updated Mar 16, 2017 Python
Ruibin-Liu / MolDF Star 7 Code Issues Pull requests Super lightweight and fast mmCIF/PDB/MOL2 file parser into Pandas DataFrames and backwards writer. python bioinformatics pandas mmcif mol2 pdb-parser atomselection Updated Jul 2, 2024 Python
UnixJunkie / mol2-file-format-spec Star 2 Code Issues Pull requests MOL2 file format specification specification file-format mol2 reference-documentation Updated Apr 24, 2017
miladrayka / mol2parser Star 1 Code Issues Pull requests Mol2Parser is a tool for extracting information from mol2 files. bioinformatics computational-chemistry mol2 Updated Mar 2, 2023 Python
gxf1212 / md-highlighter Star 1 Code Issues Pull requests a VScode syntax highlight tool for molecular dynamics psf rtf molecular-simulation molecular-dynamics-simulation sdf namd gromacs mol2 molecular-modeling Updated Apr 25, 2024
spheex / pepdroidff_materials_studio Star 0 Code Issues Pull requests PEPDROID force field for peptoids materials pdb studio force charmm field namd forcefield mol2 peptoid dreiding Updated Oct 11, 2021 Rich Text Format