chemfp in python 3
Hi @mbertoni
I don't think chemfp is going to work in python 3. I am able to import it, but I get syntax errors when running it...:
Traceback (most recent call last):
File "/opt/miniconda3/envs/py36/lib/python3.6/site-packages/IPython/core/interactiveshell.py", line 3326, in run_code
exec(code_obj, self.user_global_ns, self.user_ns)
File "<ipython-input-3-972b472c662b>", line 1, in <module>
tm.fit(data = "chembl_infectious_assays/CHEMBL613360/pchembl_500.csv")
File "/aloy/home/mduran/myscripts/chemical_checker/package/chemicalchecker/tool/targetmate/base.py", line 524, in fit
smi_test, use_checkpoints=use_checkpoints, is_prd=False)
File "/aloy/home/mduran/myscripts/chemical_checker/package/chemicalchecker/tool/targetmate/base.py", line 290, in fingerprint_arena
type="RDKit-Morgan", source=smi_file, format="smi")
File "/opt/miniconda3/envs/py36/lib/python3.6/site-packages/chemfp/__init__.py", line 166, in read_molecule_fingerprints
from . import types
File "/opt/miniconda3/envs/py36/lib/python3.6/site-packages/chemfp/types.py", line 220
except ValueError, err:
^
SyntaxError: invalid syntax
I think I will migrate to FP2Sim. What do you think?