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Thanks for the great work on this package!
I downloaded the LMDB dataset for residue deletion which unzipped to the following folder:
/raw/RES/data/
data.mdb lock.mdb
When I look at the dataframes for each protein structure, the labels are missing. dataset = da.load_dataset(lmdb_path, 'lmdb')
dataset.get('100d')
{'atoms': ensemble subunit structure model chain hetero insertion_code ... x y z element name fullname serial_number
0 100d.pdb 0 100d.pdb 0 A ... -4.549 5.095 4.262 O O5' O5' 1
1 100d.pdb 0 100d.pdb 0 A ... -4.176 6.323 3.646 C C5' C5' 2
Is the idea that one downloads this slightly reformatted PDB data and then runs some feature generation code (ex: generate voxels for 3D CNN) on top of it? Can you please point to the code that can do this (the current code in this repo still seems to use shards and not the lmdb format)?
Thanks.
The text was updated successfully, but these errors were encountered:
Thanks for the great work on this package!
I downloaded the LMDB dataset for residue deletion which unzipped to the following folder:
/raw/RES/data/
data.mdb lock.mdb
When I look at the dataframes for each protein structure, the labels are missing.
dataset = da.load_dataset(lmdb_path, 'lmdb')
[408 rows x 20 columns], 'id': '100d', 'file_path': '/oak/stanford/groups/rbaltman/aderry/graph-pdb/data/raw/100d.pdb', 'labels': Empty DataFrame
Columns: [subunit, label, x, y, z]
Index: [], 'subunit_indices': [], 'types': {'atoms': "<class 'pandas.core.frame.DataFrame'>", 'id': "<class 'str'>", 'file_path': "<class 'str'>", 'labels': "<class 'pandas.core.frame.DataFrame'>", 'subunit_indices': "<class 'list'>", 'types': "<class 'dict'>"}}
Is the idea that one downloads this slightly reformatted PDB data and then runs some feature generation code (ex: generate voxels for 3D CNN) on top of it? Can you please point to the code that can do this (the current code in this repo still seems to use shards and not the lmdb format)?
Thanks.
The text was updated successfully, but these errors were encountered: