gcorso / torsional-diffusion Star 258 Code Issues Pull requests Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022) machine-learning chemistry geometry molecules equivariance torsion-angles conformer-generator neurips-2022 Updated Feb 10, 2024 Python
radi0sus / xyz2tab Star 33 Code Issues Pull requests Convert XYZ data to bond lengths & angles, calculate contacts, planes and dihedral angles and print tables visualization viewer table angle bond orca coordinates xyz tables dihedral-angles xyz-reader length xyz-files orca-quantum-chemistry torsion-angles molecule-visualization dft-calculations xmol xyz-viewer best-fit-plane Updated Feb 22, 2024 Python
mircare / Brewery Star 14 Code Issues Pull requests State-of-the-art ab initio prediction of 1D protein structure annotations machine-learning deep-learning proteins protein-structure protein-sequences hhblits secondary-structure psi-blast solvent-accessible-surface-area contact-density torsion-angles Updated Feb 28, 2021 C++
Boehringer-Ingelheim / TorsionProfiler Star 2 Code Issues Pull requests Torsion profile calculation and analysis made easy! Get quick access to various methods. command-line python3 drug-discovery drug-design torsion-angles torsion-profiles Updated Jan 24, 2025 Python
Howuhh / ramachandran_plots Star 0 Code Issues Pull requests simple ramachandran plots for cif files biopython torsion-angles ramachandran-plots Updated Apr 4, 2020 Jupyter Notebook