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data_root error while defining ExampleProvider #107

@drorhunvural

Description

@drorhunvural

I have a gninatypes file. The path of this file is gninatype_dir

I have a sample.types file containing a single line. The contents of the file are as follows.

12.531857 1.317891e+01 3.390248e+01 5bqh_protein_nowat.gninatypes

My question is I get an error in batch =e_test_1.next_batch() part of a code block like below

ValueError: Could not read /content/5bqh_protein_nowat.gninatypes/5bqh_protein_nowat.gninatypes

The problem is that the path of the file changes from /content/5bqh_protein_nowat.gninatypes to /content/5bqh_protein_nowat.gninatypes/5bqh_protein_nowat.gninatypes and cannot find it.

Is there a mistake I made while creating the ExampleProvider?

gninatype_dir = '/content/5bqh_protein_nowat.gninatypes'
sample_types = '/content/sample.types'

e_test_1 = molgrid.ExampleProvider(data_root= gninatype_dir, stratify_min = 0, stratify_max = 5, stratify_step=1, labelpos=0, shuffle=False,stratify_receptor=False, balanced = False)
e_test_1.populate(sample_types)

for i in range(1):
        model_categorized.eval()
        batch =e_test_1.next_batch()
        ...

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