torsion-angles

There are 0 repository under torsion-angles topic.

gcorso / torsional-diffusion
Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)
chemistry conformer-generator equivariance geometry machine-learning molecules torsion-angles neurips-2022
Language:Python 242
radi0sus / xyz2tab
Convert XYZ data to bond lengths & angles, calculate contacts, planes and dihedral angles and print tables
xyz xyz-reader xyz-files dft-calculations xmol orca-quantum-chemistry orca coordinates bond length angle table tables viewer xyz-viewer molecule-visualization visualization best-fit-plane dihedral-angles torsion-angles
Language:Python 27
mircare / Brewery
State-of-the-art ab initio prediction of 1D protein structure annotations
proteins machine-learning deep-learning hhblits psi-blast protein-structure protein-sequences solvent-accessible-surface-area secondary-structure contact-density torsion-angles
Language:C++ 14
Howuhh / ramachandran_plots
simple ramachandran plots for cif files
ramachandran-plots biopython torsion-angles
Language:Jupyter Notebook