mol2

There are 0 repository under mol2 topic.

BioPandas / biopandas
Working with molecular structures in pandas DataFrames
molecular-structures pandas-dataframe pdb mol2 protein-structure molecules pdb-files drug-discovery computational-biology bioinformatics molecule
Language:Python 698
UnixJunkie / mol2ecfp4
convert molecules to their ECFP4 fingerprint using rdkit
ecfp4 mol2 sdf rdkit python-script
Language:Python 8
MolDF
Ruibin-Liu / MolDF
Super lightweight and fast mmCIF/PDB/MOL2 file parser into Pandas DataFrames and backwards writer.
bioinformatics pandas pdb-parser mmcif mol2 python atomselection
Language:Python 7
UnixJunkie / mol2-file-format-spec
MOL2 file format specification
mol2 file-format specification reference-documentation
2
gxf1212 / md-highlighter
a VScode syntax highlight tool for molecular dynamics
gromacs mol2 molecular-dynamics-simulation molecular-modeling molecular-simulation namd psf rtf sdf
1
miladrayka / mol2parser
Mol2Parser is a tool for extracting information from mol2 files.
bioinformatics computational-chemistry mol2
Language:Python 1
pepdroidff_materials_studio
spheex / pepdroidff_materials_studio
PEPDROID force field for peptoids
peptoid force field materials studio forcefield namd charmm pdb mol2 dreiding
Language:Rich Text Format 0