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pxr-challenge-cofolding

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pxr-challenge-cofolding / input_data /input_data_manifest.csv

dargason

Clean dataset-only metadata and add archive inventories

2b1b189 verified 6 months ago

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path,bytes,sha256,rows,description
input_data/raw_smiles/activity_challenge_raw_smiles.csv,41549,9f0d835cfb2fe9458be25c11c9a5e6f00db712c5054239d8a701444d1e435f93,513,Activity-challenge ligand SMILES table.
input_data/raw_smiles/structure_challenge_raw_smiles.csv,12774,3a7643dfd41c6ae4150994e4ca46a0e27b51d60f0f2e8a79760ad7fcfcbb6089,184,Structure-challenge ligand SMILES table.
input_data/raw_smiles/pdb64_raw_smiles.csv,7061,2c60cead27aeb1ce43ee1d6b564cc84137feec49ee59b185c601bf7097a4cb4c,70,PDB64 ligand SMILES table.
input_data/pdb64_rerefined/systems_manifest.csv,8100,302695ac412d9bfcefb29c5b3582adc1365a039bdd80459a852acf4e1e946dc6,70,PDB64 system definitions.
input_data/pdb64_rerefined/rerefined_pdb_manifest.csv,2322,bea0e506373060f0f781433b7430f93d1bae6a38df817228e4cda2f7ec1e6b13,64,Manifest for rerefined PDB archive members.
input_data/pdb64_rerefined/archive_inventory.csv,5168,84eac7db7f8c4f381360528f3df80e64809665ccaf58b239794e3ebc61f0070c,65,Complete file inventory for rerefined PDB archive.
input_data/pdb64_rerefined/rerefined_pdbs.tar.zst,8103253,258d2bf10ca364a656553c4dc73e69edd5d8c6b9ef6ddf6cd1c7b5d0ab400134,,Rerefined PDB archive.
input_data/protein/hpxr_lbd_model_sequence.fasta,316,,,hPXR LBD sequence.
input_data/msa/hpxr_lbd_colabfold_main.a3m,165910,,,Shared hPXR LBD MSA.

	path,bytes,sha256,rows,description
	input_data/raw_smiles/activity_challenge_raw_smiles.csv,41549,9f0d835cfb2fe9458be25c11c9a5e6f00db712c5054239d8a701444d1e435f93,513,Activity-challenge ligand SMILES table.
	input_data/raw_smiles/structure_challenge_raw_smiles.csv,12774,3a7643dfd41c6ae4150994e4ca46a0e27b51d60f0f2e8a79760ad7fcfcbb6089,184,Structure-challenge ligand SMILES table.
	input_data/raw_smiles/pdb64_raw_smiles.csv,7061,2c60cead27aeb1ce43ee1d6b564cc84137feec49ee59b185c601bf7097a4cb4c,70,PDB64 ligand SMILES table.
	input_data/pdb64_rerefined/systems_manifest.csv,8100,302695ac412d9bfcefb29c5b3582adc1365a039bdd80459a852acf4e1e946dc6,70,PDB64 system definitions.
	input_data/pdb64_rerefined/rerefined_pdb_manifest.csv,2322,bea0e506373060f0f781433b7430f93d1bae6a38df817228e4cda2f7ec1e6b13,64,Manifest for rerefined PDB archive members.
	input_data/pdb64_rerefined/archive_inventory.csv,5168,84eac7db7f8c4f381360528f3df80e64809665ccaf58b239794e3ebc61f0070c,65,Complete file inventory for rerefined PDB archive.
	input_data/pdb64_rerefined/rerefined_pdbs.tar.zst,8103253,258d2bf10ca364a656553c4dc73e69edd5d8c6b9ef6ddf6cd1c7b5d0ab400134,,Rerefined PDB archive.
	input_data/protein/hpxr_lbd_model_sequence.fasta,316,,,hPXR LBD sequence.
	input_data/msa/hpxr_lbd_colabfold_main.a3m,165910,,,Shared hPXR LBD MSA.