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haddocking
pdb-tools

A dependency-free cross-platform swiss army knife for PDB files.

28K 451 121
elkins
synth-pdb

Generate realistic PDB files with mixed secondary structures for testing, education and bioinformatics tool development

4K 1 0
Pranavkhade
py-packman

Python package built around protein structure and dynamics. OpenBabel-inspired objects.

1K 40 7
drewschaub
protein-design-tools

A library of tools for protein design

619 2 0
NoahHenrikKleinschmidt
buildamol

A fragment-based molecular assembly toolkit

402 44 1
Electrostatics
old-pdb

This code reads and writes the old Protein Data Bank format.

237 4 1
jewettaij
dlpdb

collect statistics from the entire PDB library

218 5 3
tawssie
zmpy3d-tf

Python implementation of 3D Zernike moments with Tensorflow

198 3 0
tawssie
zmpy3d

Python implementation of 3D Zernike moments with NumPy

195 17 3
tawssie
zmpy3d-cp

Python implementation of 3D Zernike moments with CuPy

192 4 0
Delta-Research-Team
intermap

Accelerated Detection of Interaction Fingerprints on Large-Scale Molecular Ensembles

186 4 2
Electrostatics
go2pdb

This code identifies Protein Data Bank (PDB) entries with specific Gene Ontology (GO) annotations.

119 2 3
tawssie
zmpy3d-pt

Python implementation of 3D Zernike moments with PyTorch

102 9 0
NoahHenrikKleinschmidt
biobuild

A fragment-based molecular assembly toolkit

43 44 1
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