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Post Author Forum Replies Views Posted [asc]
    Thread: Converting Smiles to Fingerprint with pandas iterrows/apply-function:
Post: Converting Smiles to Fingerprint with pandas iterr...
Im trying to iterate my function over a column but it doesn't work properly. Could you guys show me where I have to correct my code? Thats my Code def SmilesToFPS(smiles): mol = Chem.MolFromSmile...
 Jompie96 General Coding Help 0 2,497 Jul-04-2019, 01:50 PM
    Thread: Multiprocessing my Loop/Iteration (Try...Except)
Post: RE: Multiprocessing my Loop/Iteration (Try...Excep...
First I got: unexpected indent in line 3 but then nothing happened no error, but I can't see any results... Im gonna try map now and post the code afterwards. Noisefloor, thank you very much. You c...
 Jompie96 General Coding Help 7 4,604 Jun-19-2019, 12:48 PM
    Thread: Multiprocessing my Loop/Iteration (Try...Except)
Post: RE: Multiprocessing my Loop/Iteration (Try...Excep...
That was my try implementing multiprocessing. The error was : unexpected indent. from multiprocessing import Pool def resolve(str_input, representation): try: import cirpy ...
 Jompie96 General Coding Help 7 4,604 Jun-19-2019, 09:39 AM
    Thread: Multiprocessing my Loop/Iteration (Try...Except)
Post: RE: Multiprocessing my Loop/Iteration (Try...Excep...
I know there is no multiprocessing in it. I didn't post it, because there was always an error. A conversion took on my MBP like 1 1/2 hour. I tried the apply function, but it didn't work. Could you ...
 Jompie96 General Coding Help 7 4,604 Jun-19-2019, 08:54 AM
    Thread: Multiprocessing my Loop/Iteration (Try...Except)
Post: Multiprocessing my Loop/Iteration (Try...Except)
Im converting one chemical notation to another type. My list has like over 6k different names to convert and it takes so long. How can I use multiprocessing? I tried to implement myself, but im a noob...
 Jompie96 General Coding Help 7 4,604 Jun-19-2019, 08:27 AM
    Thread: Apply a function with pandas
Post: RE: Apply a function with pandas
Hey Stullis, thanks for your answer. I tried your way but I got the error: quote_from_bytes() expected bytes Sorry I'm a noob. I don't know how to solve that problem.
 Jompie96 General Coding Help 2 2,228 Jun-13-2019, 07:04 PM
    Thread: Apply a function with pandas
Post: Apply a function with pandas
Hey I'm doing research now and I have problems to apply a function to my data. Here is the function I want to apply: import cirpy cirpy.resolve ("taurine", "smiles") taurine is the value I want to t...
 Jompie96 General Coding Help 2 2,228 Jun-13-2019, 02:33 PM

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