Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)
Convert XYZ data to bond lengths & angles, calculate contacts, planes and dihedral angles and print tables
State-of-the-art ab initio prediction of 1D protein structure annotations
Torsion profile calculation and analysis made easy! Get quick access to various methods.
Molecular backbone geometry utilities
Protein structure prediction for CullPDB 9-mer fragments using multi-input deep learning (LSTM + dense layers) with sequence and torsion-angle features. Reproducible research code accompanying an academic study.
simple ramachandran plots for cif files
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