GitHub topics: mol2
BioPandas/biopandas
Working with molecular structures in pandas DataFrames
Language: Python - Size: 22.3 MB - Last synced at: 7 days ago - Pushed at: 9 months ago - Stars: 726 - Forks: 120
pritampanda15/Structify-Chemical-Structure-Converter
Structify is a lightweight and efficient tool for converting chemical structure file formats. Structify simplifies the process of converting between formats commonly used in computational chemistry and molecular docking workflows.
Language: Python - Size: 904 KB - Last synced at: 5 days ago - Pushed at: about 1 month ago - Stars: 3 - Forks: 0
Ruibin-Liu/MolDF
Super lightweight and fast mmCIF/PDB/MOL2 file parser into Pandas DataFrames and backwards writer.
Language: Python - Size: 2.37 MB - Last synced at: 10 days ago - Pushed at: 20 days ago - Stars: 8 - Forks: 2
Adam-maz/mol2_to_pdbqt_converter
Herein, I introduce some mol2-to-pdbqt converters written in R and Python
Language: Python - Size: 7.81 KB - Last synced at: about 1 month ago - Pushed at: 4 months ago - Stars: 0 - Forks: 0
gxf1212/md-highlighter
a VScode syntax highlight tool for molecular dynamics
Size: 3.67 MB - Last synced at: 12 months ago - Pushed at: 12 months ago - Stars: 0 - Forks: 0
spheex/pepdroidff_materials_studio
PEPDROID force field for peptoids
Language: Rich Text Format - Size: 36.1 KB - Last synced at: over 1 year ago - Pushed at: over 3 years ago - Stars: 0 - Forks: 0
miladrayka/mol2parser
Mol2Parser is a tool for extracting information from mol2 files.
Language: Python - Size: 23.4 KB - Last synced at: almost 2 years ago - Pushed at: about 2 years ago - Stars: 0 - Forks: 0
UnixJunkie/mol2-file-format-spec
MOL2 file format specification
Size: 125 KB - Last synced at: 26 days ago - Pushed at: almost 8 years ago - Stars: 2 - Forks: 1
UnixJunkie/mol2ecfp4
convert molecules to their ECFP4 fingerprint using rdkit
Language: Python - Size: 1.95 KB - Last synced at: 7 days ago - Pushed at: about 8 years ago - Stars: 8 - Forks: 3