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How to run the example script provided in paper? #87

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kexul opened this issue Oct 11, 2021 · 0 comments
Open

How to run the example script provided in paper? #87

kexul opened this issue Oct 11, 2021 · 0 comments

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@kexul
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kexul commented Oct 11, 2021

Hi guys, I cloned the repo and tried to run the following code provided in the paper, but it complained:

  File "/root/group_ceph/espaloma/example.py", line 3, in <module>
    dataset = esp.data.dataset.GraphDataset.load('gen2').view(batch_size=128)
  File "/root/group_ceph/espaloma/espaloma/data/dataset.py", line 316, in load
    paths = os.listdir(path)
FileNotFoundError: [Errno 2] No such file or directory: 'gen2'

Do you have any suggestions for what I should do next?

企业微信截图_16339527201650

I found that there are some h5 files in data folder, another error raised when I tried to load it by pandas:

  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: /data/miniconda3/envs/esp/lib/hdf5/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 './data/qca/Coverage.h5'
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