Datasets:

NYCU-MLLab
/

Physics-Inspired-Landscape-Learning-and-Flow-Matching-data

Tasks:

Tags:

molecular-generation

structure-based-drug-design

Dataset card Files Files and versions

Physics-Inspired-Landscape-Learning-and-Flow-Matching-data / data

7.75 GB

1 contributor

History: 7 commits

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CrossDocked2020_LICENSE.txt

1.07 kB
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atom_num_dataset.pkl
Detected Pickle imports (2)
- "numpy.dtype",
- "numpy.core.multiarray.scalar"
How to fix it?
11.2 MB
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crossdocked_pocket10_pose_split.pt
Pickle imports
- No problematic imports detected
What is a pickle import?
425 kB
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crossdocked_pocket10_with_protein.tar.gz

3.63 GB
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crossdocked_v1.1_rmsd1.0_pocket10_processed_final.lmdb

4.07 GB
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reference_metrics.pt

572 kB
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test_set.tar.gz

38.4 MB
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