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Histogram has been removed in `scipy` but is available in `numpy` The requirement `numpy>=1.15.2` should cover the import.
`chemnet_model_filename` changed in FCD v1.2 as it was ported to pytorch. The functionality in `_load_chemnet` has since been copied to FCD and could be replaced with `fcd.load_ref_model(model_path=None)` down the road.
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i was going to request this as well. tested on my end and works |
Excuse me, I met the questions when conducting 'python -m guacamol.data.get_data -o ./' as follows: |
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It is still an issue. Two changes need to be done in the code. First, the utils/chemistry.py needs to change from: histogram, to np.histogram once this is done, the repository works |
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Histogram has been removed in
scipybut is available innumpyThe requirementnumpy>=1.15.2covers the import.