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ci-lab-cz / pharmd

MD pharmacophores and virtual screening
BSD 3-Clause "New" or "Revised" License
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problem with pmapper #8

Closed sherifelsabbagh closed 4 months ago

sherifelsabbagh commented 4 months ago

Hi,

I bought a new laptop.. and tried to install the packages..this time it does not work.. again the message appears "TypeError: _get_features_atom_ids() missing 1 required positional argument: 'smarts_features'"

I tried to see what is wrong.. I think there is sth wrong with pmapper may be because this function is from it. it requires 3 arguments : self, mol, smart_features..

is there any solution to this ?

sherifelsabbagh commented 4 months ago

I installed using this way:

pip install CGRtools pip install git+https://github.com/stsouko/PharmaContacts.git pip install git+https://github.com/meddwl/pharmd.git@cgr pip install rdkit