Lewis-Atwell, T., Beechey, D., Şimşek, Ö., Grayson, M., 2023. Dataset for "Reformulating Reactivity Design for Data-Efficient Machine Learning". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-01240.
Lewis-Atwell, T., Townsend, P., Grayson, M., 2022. Dataset for "Comparing the Performances of Force Fields in Conformational Searching of Hydrogen Bond-Donating Catalysts". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-01065.