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BorgwardtLab / proteinshake

Protein structure datasets for machine learning.
https://proteinshake.ai
BSD 3-Clause "New" or "Revised" License
99 stars 8 forks source link

multiple CVs for the splits #175

Open timkucera opened 1 year ago

timkucera commented 1 year ago

Could be implemented like:

protein_dict['protein'] = {
...
'CV1': 'test',
'CV2': 'train',
'CV3': 'train',
...
}