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Commit 11df1a7d authored by marta-sd's avatar marta-sd
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more cleanup:

* changed get_formal_charge to get_partial_charge
* removed unused arguments from RdkitGridFeaturizer
* changed squeeze to flatten to create flat arrays
* removed ecfp_degree from compute_hydrogen_bonds and compute_hbonds_in_range (it wasn't used)
parent b3c9f2c6
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