For a complete introductio to the methodology of fitting or parameterization of a force field start the tutorials on the related website: tutorial
This project is licensed under the MIT License - see the LICENSE.md file for details
- Matteo Peluso
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Molecular Mechanic Force Field Parameterization from an ab initio data set through a linear ridge regression differential evolution
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Molecular Mechanic Force Field Parameterization from an ab initio data set through a linear ridge regression differential evolution
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