Hi!
Thanks for your work! I installed this tool in Linux platform successfully, but when I tried to run aizynthcli --config /home/wdh/project/aizynthfinder/data/config.yml --smiles "COc1cccc(OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1" after run download_public_data /home/wdh/project/aizynthfinder/data , got this error below:
Traceback (most recent call last):
File "/home/wdh/anaconda3/envs/aizynth-env/bin/aizynthcli", line 8, in <module>
sys.exit(main())
File "/home/wdh/anaconda3/envs/aizynth-env/lib/python3.9/site-packages/aizynthfinder/interfaces/aizynthcli.py", line 182, in main
finder = AiZynthFinder(configfile=args.config)
File "/home/wdh/anaconda3/envs/aizynth-env/lib/python3.9/site-packages/aizynthfinder/aizynthfinder.py", line 50, in __init__
self.config = Configuration.from_file(configfile)
File "/home/wdh/anaconda3/envs/aizynth-env/lib/python3.9/site-packages/aizynthfinder/context/config.py", line 88, in from_file
return Configuration.from_dict(_config)
File "/home/wdh/anaconda3/envs/aizynth-env/lib/python3.9/site-packages/aizynthfinder/context/config.py", line 63, in from_dict
config_obj.expansion_policy.load_from_config(
File "/home/wdh/anaconda3/envs/aizynth-env/lib/python3.9/site-packages/aizynthfinder/context/policy.py", line 126, in load_from_config
self.load(modelfile, templatefile, key)
File "/home/wdh/anaconda3/envs/aizynth-env/lib/python3.9/site-packages/aizynthfinder/context/policy.py", line 102, in load
templates = pd.read_hdf(templatefile, "table")
File "/home/wdh/anaconda3/envs/aizynth-env/lib/python3.9/site-packages/pandas/io/pytables.py", line 416, in read_hdf
store = HDFStore(path_or_buf, mode=mode, errors=errors, **kwargs)
File "/home/wdh/anaconda3/envs/aizynth-env/lib/python3.9/site-packages/pandas/io/pytables.py", line 578, in __init__
self.open(mode=mode, **kwargs)
File "/home/wdh/anaconda3/envs/aizynth-env/lib/python3.9/site-packages/pandas/io/pytables.py", line 737, in open
self._handle = tables.open_file(self._path, self._mode, **kwargs)
File "/home/wdh/anaconda3/envs/aizynth-env/lib/python3.9/site-packages/tables/file.py", line 300, in open_file
return File(filename, mode, title, root_uep, filters, **kwargs)
File "/home/wdh/anaconda3/envs/aizynth-env/lib/python3.9/site-packages/tables/file.py", line 750, in __init__
self._g_new(filename, mode, **params)
File "tables/hdf5extension.pyx", line 486, in tables.hdf5extension.File._g_new
tables.exceptions.HDF5ExtError: HDF5 error back trace
File "H5F.c", line 620, in H5Fopen
unable to open file
File "H5VLcallback.c", line 3501, in H5VL_file_open
failed to iterate over available VOL connector plugins
File "H5PLpath.c", line 578, in H5PL__path_table_iterate
can't iterate over plugins in plugin path '(null)'
File "H5PLpath.c", line 620, in H5PL__path_table_iterate_process_path
can't open directory: /usr/local/hdf5/lib/plugin
File "H5VLcallback.c", line 3351, in H5VL__file_open
open failed
File "H5VLnative_file.c", line 97, in H5VL__native_file_open
unable to open file
File "H5Fint.c", line 1990, in H5F_open
unable to read superblock
File "H5Fsuper.c", line 405, in H5F__super_read
file signature not found
End of HDF5 error back trace
Unable to open/create file '/home/wdh/project/aizynthfinder/data/uspto_templates.csv.gz'
Hi! Thanks for your work! I installed this tool in Linux platform successfully, but when I tried to run
aizynthcli --config /home/wdh/project/aizynthfinder/data/config.yml --smiles "COc1cccc(OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1"
after rundownload_public_data /home/wdh/project/aizynthfinder/data
, got this error below:Where is my wrong? Thanks again.