Datasets:

liofoil
/

copuladock

Languages:

Tags:

protein-ligand-docking

molecular-graphs

pytorch-geometric

Dataset card Files Files and versions

copuladock / code /compact_v1

235 kB

1 contributor

History: 1 commit

liofoil's picture

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0cb481f verified 12 days ago

README.md

1.35 kB
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build_compact_v1_direct.py

62.1 kB
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build_compact_v1_direct.sbatch

4.49 kB
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build_graph_unified_enhanced.py

31.7 kB
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build_system_index.py

9.44 kB
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compact_graph_dataset.py

22.2 kB
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convert_to_compact_v1.py

28.3 kB
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materialize_hiqbind_gnncp.py

9.82 kB
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requirements.txt

187 Bytes
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smoke_test_compact_dataset.py

23.5 kB
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test_build_compact_v1_direct.py

16.5 kB
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test_compact_graph_dataset.py

11.9 kB
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validate_compact_dataset.py

13.6 kB
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