Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)
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Updated
Feb 10, 2024 - Python
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
simple ramachandran plots for cif files
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