Reputation: 2106
I am beginner for python and get stack at how python organize its code.
For example: https://github.com/HIPS/neural-fingerprint/blob/master/examples/regression.py
In the regession.py
, it will import the neuralfingerprint
directory. When I run the regession.py
in anaconda python, it says that the neuralfingerprint
doesn't exist. I need to copy neuralfingerprint
again to make sure neuralfingerprint
and regession.py
are in the same folder.
Any convient way? or why the author put regession.py
and neuralfingerprint
put them in different folder?
Thanks.
Upvotes: 0
Views: 54
Reputation: 486
That is because what you have linked is a python library, and should be installed before you can properly use it. From the command line, run python setup.py
from within the folder, or just run pip install git+https://github.com/HIPS/neural-fingerprint.git
on the command line. This will install the library, and python will be able to find the correct files.
For this library, however, some other libraries are needed that are not installed automatically.
To install scipy: pip install scipy
or conda install scipy
with anaconda
For RDKit: it seems like you have to follow this
Upvotes: 1