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Datasets:
roman-bushuiev
/
GeMS
like
19
Size:
10M<n<100M
Tags:
chemistry
License:
mit
Dataset card
Files
Files and versions
xet
Community
1
main
GeMS
/
data
/
auxiliary
3.86 GB
1 contributor
History:
22 commits
roman-bushuiev
Upload metadata_beers.tsv
d67f742
verified
5 months ago
workshop_eubicms2026
Upload metadata_beers.tsv
5 months ago
MassSpecGym_DreaMS.hdf5
1.54 GB
xet
Upload MassSpecGym_DreaMS.hdf5
5 months ago
MassSpecGym_MurckoHist_split.hdf5
583 MB
xet
Rename data/MassSpecGym_MurckoHist_split.hdf5 to data/auxiliary/MassSpecGym_MurckoHist_split.hdf5
over 1 year ago
MassSpecGym_no_test_DreaMS.hdf5
1.41 GB
xet
Rename data/auxiliary/MassSpecGym_DreaMS.hdf5 to data/auxiliary/MassSpecGym_no_test_DreaMS.hdf5
over 1 year ago
MoNA_A_Murcko_split_neighbours_[M+H]+_0.05Da.pkl
pickle
Detected Pickle imports (13)
"pandas.core.indexes.base.Index"
,
"pandas.core.indexes.base._new_Index"
,
"numpy.core.numeric._frombuffer"
,
"pandas.core.frame.DataFrame"
,
"pandas.core.internals.managers.BlockManager"
,
"numpy.dtype"
,
"msml.utils.spectra.MSnSpectrum"
,
"rdkit.Chem.rdchem.Mol"
,
"builtins.slice"
,
"pandas._libs.internals._unpickle_block"
,
"numpy.ndarray"
,
"pandas.core.indexes.range.RangeIndex"
,
"numpy.core.multiarray._reconstruct"
How to fix it?
81.3 MB
xet
Upload MoNA_A_Murcko_split_neighbours_[M+H]+_0.05Da.pkl
over 1 year ago
Piper55-Leaf-r2_1uL_damiani2023.mzML
81.1 MB
xet
Upload 2 files
5 months ago
example_5_drugs_zhao2025.mgf
Safe
6.67 kB
Upload 2 files
5 months ago
example_piper_2k_spectra.mgf
Safe
3.5 MB
Upload example_piper_2k_spectra.mgf
10 months ago
gnps_mris.tsv
26.8 MB
xet
Rename gnps_mris.tsv to data/auxiliary/gnps_mris.tsv
almost 2 years ago