aqme
1.6.1
Quickstart
Installation
Users with no Python experience
Video Tutorials
Video tutorials
Examples
Examples Jupyter Notebook
Examples Command line
Conformer Generation
Organic Molecule generated from SMILES
Noncovalent bimolecular complex generated from SMILES
SN2 TS generated from SMILES
Metal complex from SMILES input
QM Input Generation
Correction of QM Output
End to End Examples
Descriptor Generation
API Reference
Main Modules
Other Modules
Technical
Requirements
Basic usage
Default and Required Parameters
Tests
Features and Modules
Misc
Versions
Development
License
Help?
aqme
Examples Command line
Conformer Generation
Edit on GitHub
Conformer Generation
Organic Molecule generated from SMILES
Noncovalent bimolecular complex generated from SMILES
SN2 TS generated from SMILES
Metal complex from SMILES input