daenuprobst / molzip

The gzip classification method implemented for molecule classification.
MIT License
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Issue with descriptastorus #21

Open janweinreich opened 8 months ago

janweinreich commented 8 months ago

all packages installed but get:

AttributeError: module 'scipy.stats' has no attribute 'gibrat'. Did you mean: 'gilbrat'?

comes from site-packages/descriptastorus/descriptors/rdNormalizedDescriptors.py

ogger = logging.getLogger("descriptastorus")

cdfs = {}

for name, (dist, params, minV,maxV,avg,std) in dists.dists.items():
    arg = params[:-2]
    loc = params[-2]
    scale = params[-1]

    if dist in ['gilbrat', 'gibrat']:
        # fix change in scikit learn
        if hasattr(dist, 'gilbrat'):
            dist = 'gilbrat'
        else:
            dist = 'gibrat'

dirty fix: comment these lines:

    if dist in ['gilbrat', 'gibrat']:
        # fix change in scikit learn
        #if hasattr(dist, 'gilbrat'):
        dist = 'gilbrat'
        #else:
        #dist = 'gibrat'

The error message AttributeError: module 'scipy.stats' has no attribute 'gibrat', suggests that we are trying to access an attribute gibrat in the scipy.stats module, which does not exist in the SciPy library. The error message also suggests an alternative: gilbrat.