parameterize is a molecular force field parameterization tool.

conda install -c acellera -c psi4 -c conda-forge parameterize

parameterize molecule.mol2

Full documentation: https://software.acellera.com/docs/latest/parameterize/

Tutorial: https://software.acellera.com/docs/latest/parameterize/tutorial.html

Try Parameterize app on PlayMolecule.

R. Galvelis, S. Doerr, J. M. Damas, M. J. Harvey, and G. De Fabritiis, A Scalable Molecular Force Field Parameterization Method Based on Density Functional Theory and Quantum-Level Machine Learning, J. Chem. Inf. Model. 2019, 59, 8, 3485-3493. DOI: 10.1021/acs.jcim.9b00439. arXiv: 1907.06952