To setup environment for a2g2 look in environments/
This is a tool created in the Aspuru-Guzik Group for managing molecules.
It is released for the aspuru-guzik-group/b3 package.
Some tools are removed. Package not fully tested after some removal.
Contact the group to resolve package issues.
All acknowledgement, copyright, and license goes to the main contributors:
- Alan Aspuru-Guzik and the group (alan@aspuru.com)
- Timothy Hirzel (hirzel@chemistry.harvard.edu)
- Rafael Gomez-Bombarelli (rgbombarelli@tormes.chem.harvard.edu)
- Dennis Sheberla (denn@fas.harvard.edu)
- Jorge Aguilera Iparraguirre (jorgeag@chemistry.harvard.com)
- Tony Wu (ttttonywu@gmail.com)
Please contact the group and contributors for use.