yzhouchen001 commited on
Commit
316cf04
·
1 Parent(s): 450412d

updated data

Browse files
app_utils/examples.py CHANGED
@@ -1,6 +1,6 @@
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  import pandas as pd
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- data = pd.read_csv("/data/yzhouc01/FILIP-MS/data/sample/data.tsv", sep='\t')
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  data = data[['identifier', 'mzs', 'intensities', 'smiles', 'formula', 'precursor_mz', 'adduct']]
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  EXAMPLES = data.set_index('identifier').to_dict('index')
 
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  import pandas as pd
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+ data = pd.read_csv("data/sample/data.tsv", sep='\t')
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  data = data[['identifier', 'mzs', 'intensities', 'smiles', 'formula', 'precursor_mz', 'adduct']]
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  EXAMPLES = data.set_index('identifier').to_dict('index')
app_utils/model_utils.py CHANGED
@@ -1,6 +1,6 @@
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  import sys
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- sys.path.insert(0, "/data/yzhouc01/MassSpecGym")
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- sys.path.insert(0, "/data/yzhouc01/FILIP-MS")
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  from rdkit import RDLogger
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  from mvp.utils.data import get_spec_featurizer, get_mol_featurizer, get_ms_dataset
 
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  import sys
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+ # sys.path.insert(0, "/data/yzhouc01/MassSpecGym")
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+ # sys.path.insert(0, "/data/yzhouc01/FILIP-MS")
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  from rdkit import RDLogger
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  from mvp.utils.data import get_spec_featurizer, get_mol_featurizer, get_ms_dataset