Items where Creator or Contributor is "Grayson, Matthew"
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All categories2022
Farrar, E., 2022. Dataset for "Computational Modelling and Machine Learning Approaches Towards Understanding Asymmetric Catalytic Organic Reactions". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-01148.
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.
2023
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.
Espley, S., Farrar, E., 2023. Dataset for "Machine learning reaction barriers in low data regimes: a horizontal and diagonal transfer learning approach". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-01229.
2024
Espley, S., Allsop, S., 2024. Dataset for "Distortion/Interaction Analysis via Machine Learning". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-01398.
