search

bp-kelley / descriptastorus

Descriptor computation(chemistry) and (optional) storage for machine learning
Other
220 stars 62 forks source link

Missing pandas_flavor install #6

Closed jdakka closed 2 years ago

jdakka commented 3 years ago 
>>> from descriptastorus.descriptors import rdNormalizedDescriptors

ERROR:root:Unable to make new descriptors, descriptor generator not installed
Traceback (most recent call last):
  File "<stdin>", line 1, in <module>
  File "/home/dakka/miniconda3/envs/ligand_ml/lib/python3.6/site-packages/descriptastorus/descriptors/__init__.py", line 2, in <module>
    from .DescriptorGenerator import *
  File "/home/dakka/miniconda3/envs/ligand_ml/lib/python3.6/site-packages/descriptastorus/descriptors/DescriptorGenerator.py", line 35, in <module>
    import pandas_flavor as pf
ModuleNotFoundError: No module named 'pandas_flavor'
bp-kelley commented 3 years ago

This was fixed in #5

a pip install using this requirements file should fix the issue. It looks like we may have overlooked setup.py though. Thanks for the issue.

jdakka commented 3 years ago

Reopening this as the dependency for pandas-flavor is not included in setup.py

bp-kelley commented 2 years ago

Thanks, this was fixed in commit 0f0c2a9f60885e67f8f28f557526b0b4e2be03b5