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Datasets:
Duplicated from
roman-bushuiev/GeMS
structure-epflai
/
GeMS
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STRUCTURE @ EPFL AI team
3
Size:
10M<n<100M
Tags:
chemistry
License:
mit
Dataset card
Files
Files and versions
xet
Community
main
GeMS
/
data
/
auxiliary
3.86 GB
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2 contributors
History:
1 commit
rohangautam
roman-bushuiev
Duplicate from roman-bushuiev/GeMS
0a43c54
1 day ago
workshop_eubicms2026
Duplicate from roman-bushuiev/GeMS
1 day ago
MassSpecGym_DreaMS.hdf5
Safe
1.54 GB
xet
Duplicate from roman-bushuiev/GeMS
1 day ago
MassSpecGym_MurckoHist_split.hdf5
Safe
583 MB
xet
Duplicate from roman-bushuiev/GeMS
1 day ago
MassSpecGym_no_test_DreaMS.hdf5
Safe
1.41 GB
xet
Duplicate from roman-bushuiev/GeMS
1 day 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
Duplicate from roman-bushuiev/GeMS
1 day ago
Piper55-Leaf-r2_1uL_damiani2023.mzML
Safe
81.1 MB
xet
Duplicate from roman-bushuiev/GeMS
1 day ago
example_5_drugs_zhao2025.mgf
Safe
6.67 kB
Duplicate from roman-bushuiev/GeMS
1 day ago
example_piper_2k_spectra.mgf
Safe
3.5 MB
Duplicate from roman-bushuiev/GeMS
1 day ago
gnps_mris.tsv
Safe
26.8 MB
xet
Duplicate from roman-bushuiev/GeMS
1 day ago