GitHub - shreesowndarya/DBtoML: DBcg: Conformer generator (.com files for Gaussian) starting from smiles or sdf databases. Also, the code reoptimizes output files with imaginary frequencies and failed optimization jobs.

Name		Name	Last commit message	Last commit date
DBcg		DBcg
AccuChecker.py		AccuChecker.py
PCA_reminder.py		PCA_reminder.py

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DBcg: Conformer generator (.com files for Gaussian) starting from smiles or sdf databases. Also, the code reoptimizes output files with imaginary frequencies and failed optimization jobs.

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