slchan3

problem with smart_open ?

2

I tried generating conformers by python $E3FP/conformer/generate.py -s temp.smi -o ~/outdir -n 3 where temp.smi is simply Brc4cccc(Nc2ncnc3cc1ccccc1cc23)c4 CHEMBL63786 I encountered the following error. 2020-10-22 21:19:30,180|INFO|Input type: Detected SMILES file(s)...

can't import joblib from sklearn.externals

3

Hello Pat, Many thanks for sharing your work on Free Wilson analysis! I am trying it out. 1. I cloned your repository onto my computer. 2. I created a new...

problems encountered upon installation

2

Hello Seth, Thank you for writing this package. I have found it useful for my work. I have been following installation instructions in the section "Option 3: Clone the Repository"...