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Hello, I have used https://github.com/drorlab/atom3d/blob/master/examples/lba/dataset/process_pdbbind.py to reprocess the pdbbind-LBA dataset. However, I found the intercepted pockets are still different from your provided lmdb's protein structure. I am wondering if you can provide an intermediate file of pdb pocket files and the paired sdf molecules for generating the standard lmdb which can be downloaded. Thanks a lot for your help.
The text was updated successfully, but these errors were encountered:
Hello, I have used https://github.com/drorlab/atom3d/blob/master/examples/lba/dataset/process_pdbbind.py to reprocess the pdbbind-LBA dataset. However, I found the intercepted pockets are still different from your provided lmdb's protein structure. I am wondering if you can provide an intermediate file of pdb pocket files and the paired sdf molecules for generating the standard lmdb which can be downloaded. Thanks a lot for your help.
The text was updated successfully, but these errors were encountered: