Commit ca584141 authored by Miquel Duran-Frigola's avatar Miquel Duran-Frigola
Browse files

Working on pidgin tool, to be included in the CC package. I have added the...

Working on pidgin tool, to be included in the CC package. I have added the path in the config file, and I have written a Pidgin class currently stored as a tool. It remains to be done the output file of this
parent 2f9b7537
Pipeline #891 failed with stages
in 3 minutes and 12 seconds
......@@ -22,7 +22,8 @@
"username": "'cc_user'"
},
"TOOLS": {
"node2vec_exec" : "'/aloy/home/mbertoni/code/snap/examples/node2vec/node2vec'"
"node2vec_exec" : "'/aloy/home/mbertoni/code/snap/examples/node2vec/node2vec'",
"pidgin_dir": "'/aloy/web_checker/repo_data/PIDGINv3'"
}
}
from .pidgin import Pidgin
\ No newline at end of file
This diff is collapsed.
......@@ -380,7 +380,7 @@ class DataCalculator():
yield chunk
@staticmethod
def pidginv3_orthologs(inchikey_inchi, chunks=1000):
def pidgin3_ortho(inchikey_inchi, chunks=1000):
try:
from rdkit.Chem import AllChem as Chem
from rdkit import DataStructs
......
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