Machine learning accelerated nudged elastic bandΒΆ
Contains various tutorials starting from simple examples to the codes used to generate the results presented in J. Chem. Theory Comput. 2019, 15, 11, 6513.
Contains various tutorials starting from simple examples to the codes used to generate the results presented in J. Chem. Theory Comput. 2019, 15, 11, 6513.