Additional file 1 of kMoL: an open-source machine and federated learning library for drug discovery

Supplementary material 1. The supplementary information for this research project consists of two additional files, which contain the following information: The optimal values of the benchmarking experiment model hyperparameters. The results of the federated learning regression and classification experiments using the plain, weighted, and benchmarked averaging strategy. The results of the additional experiments using the TDCommons [4] dataset. The results of the additional experiments using the ChEMBL [44] dataset. Round-by-round federated training results presented in tabular format across multiple metrics.