GitHub repository: jvalegre/pyCONFORT
Primary language: Python
Description: python-based CONFORmer generaTor (pyCONFORT): The code is a conformer generator (including rotamers, ring conformations, cis/trans ligand isommery in metal complexes, and more) that start from SMILES / sdf / COM / XYZ / GJF individual files or databases, generating final post-processed Gaussian LOG files with no extra imaginary frequencies, unfinished jobs and error terminations (with minimal manual input required).