@techreport{BittracherBanischSchuette2017, author = {Andreas Bittracher and Ralf Banisch and Christof Sch{\"u}tte}, title = {Data-driven Computation of Molecular Reaction Coordinates}, institution = {ZIB}, address = {Takustr. 7, 14195 Berlin}, number = {17-77}, language = {eng}, year = {2017} }