structural-bioinformatics
A dependency-free cross-platform swiss army knife for PDB files.
HBAT 2: A Python Package to analyse Hydrogen Bonds and Other Non-covalent Interactions in Macromolecular Structures
Generate realistic PDB files with mixed secondary structures for testing, education and bioinformatics tool development
Pure-PyTorch LAMMPS-AWSEM frustration analysis. 14-53x faster than frustrapy on a single GPU. Byte-comparable to frustratometeR.
Python package built around protein structure and dynamics. OpenBabel-inspired objects.
A fragment-based molecular assembly toolkit for python.
A toolkit for protein structure analysis and design.
Python implementation of 3D Zernike moments with Tensorflow
Python implementation of 3D Zernike moments with CuPy
Python implementation of 3D Zernike moments with NumPy
collect statistics from the entire PDB library
Accelerated Detection of Interaction Fingerprints on Large-Scale Molecular Ensembles
Convert between PDB and CIF formats
Python implementation of 3D Zernike moments with PyTorch
Extract PDB entries annotated with specific GO codes
A fragment-based molecular assembly toolkit
