@misc{https://doi.org/10.4121/45bb4e4b-272b-41ce-a090-2b6e4b1708fd.v1, doi = {10.4121/45bb4e4b-272b-41ce-a090-2b6e4b1708fd.v1}, url = {}, author = {Finta, Sára and Kalikadien, Adarsh V. and Pidko, Evgeny}, keywords = {Catalysis, Data Science, Organometallics, Transition-metal complexes}, title = {Data underlying the publication: Data-driven virtual screening of conformational ensembles of transition-metal complexes}, publisher = {4TU.ResearchData}, year = {2025}, copyright = {CC0}, }