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CIME publication: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-022-00600-z CIME preprint: https://doi.org/10.26434/chemrxiv-2021-crpd0 Official CIME's source-code repository: https://github.com/jku-vds-lab/cime/ Example of how to create datasets for CIME: https://github.com/jku-vds-lab/cime/tree/main/Examples
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