Upload MoNA_A_Murcko_split_neighbours_[M+H]+_0.05Da.pkl 0603a81 verified roman-bushuiev commited on Sep 22, 2024
Rename data/MassSpecGym_MurckoHist_split.hdf5 to data/auxiliary/MassSpecGym_MurckoHist_split.hdf5 ae81c8a verified roman-bushuiev commited on Sep 14, 2024
Rename gnps_mris.tsv to data/auxiliary/gnps_mris.tsv 5cbdf3b verified roman-bushuiev commited on Jul 31, 2024