complex_id stringlengths 6 8 | ligand_pdbqt_path stringlengths 34 38 | target_pdbqt_path stringlengths 34 38 | decoys_pdbqt_path stringlengths 34 38 ⌀ | decoy_scores_csv_path stringlengths 38 42 ⌀ |
|---|---|---|---|---|
8BOD-QTX | data/8B/8BOD-QTX/8BOD-QTX_ligand.pdbqt | data/8B/8BOD-QTX/8BOD-QTX_target.pdbqt | data/8B/8BOD-QTX/8BOD-QTX_decoys.pdbqt | data/8B/8BOD-QTX/8BOD-QTX_decoy_scores.csv |
8BLU-DGL | data/8B/8BLU-DGL/8BLU-DGL_ligand.pdbqt | data/8B/8BLU-DGL/8BLU-DGL_target.pdbqt | data/8B/8BLU-DGL/8BLU-DGL_decoys.pdbqt | data/8B/8BLU-DGL/8BLU-DGL_decoy_scores.csv |
8B8U-T7I | data/8B/8B8U-T7I/8B8U-T7I_ligand.pdbqt | data/8B/8B8U-T7I/8B8U-T7I_target.pdbqt | data/8B/8B8U-T7I/8B8U-T7I_decoys.pdbqt | data/8B/8B8U-T7I/8B8U-T7I_decoy_scores.csv |
8B9H-Q7F | data/8B/8B9H-Q7F/8B9H-Q7F_ligand.pdbqt | data/8B/8B9H-Q7F/8B9H-Q7F_target.pdbqt | data/8B/8B9H-Q7F/8B9H-Q7F_decoys.pdbqt | data/8B/8B9H-Q7F/8B9H-Q7F_decoy_scores.csv |
8B91-Q4O | data/8B/8B91-Q4O/8B91-Q4O_ligand.pdbqt | data/8B/8B91-Q4O/8B91-Q4O_target.pdbqt | data/8B/8B91-Q4O/8B91-Q4O_decoys.pdbqt | data/8B/8B91-Q4O/8B91-Q4O_decoy_scores.csv |
8BCF-Q8Z | data/8B/8BCF-Q8Z/8BCF-Q8Z_ligand.pdbqt | data/8B/8BCF-Q8Z/8BCF-Q8Z_target.pdbqt | data/8B/8BCF-Q8Z/8BCF-Q8Z_decoys.pdbqt | data/8B/8BCF-Q8Z/8BCF-Q8Z_decoy_scores.csv |
8BIF-SAH | data/8B/8BIF-SAH/8BIF-SAH_ligand.pdbqt | data/8B/8BIF-SAH/8BIF-SAH_target.pdbqt | data/8B/8BIF-SAH/8BIF-SAH_decoys.pdbqt | data/8B/8BIF-SAH/8BIF-SAH_decoy_scores.csv |
8B2J-GJF | data/8B/8B2J-GJF/8B2J-GJF_ligand.pdbqt | data/8B/8B2J-GJF/8B2J-GJF_target.pdbqt | data/8B/8B2J-GJF/8B2J-GJF_decoys.pdbqt | data/8B/8B2J-GJF/8B2J-GJF_decoy_scores.csv |
8BAD-B3P | data/8B/8BAD-B3P/8BAD-B3P_ligand.pdbqt | data/8B/8BAD-B3P/8BAD-B3P_target.pdbqt | data/8B/8BAD-B3P/8BAD-B3P_decoys.pdbqt | data/8B/8BAD-B3P/8BAD-B3P_decoy_scores.csv |
8BCR-SAM | data/8B/8BCR-SAM/8BCR-SAM_ligand.pdbqt | data/8B/8BCR-SAM/8BCR-SAM_target.pdbqt | data/8B/8BCR-SAM/8BCR-SAM_decoys.pdbqt | data/8B/8BCR-SAM/8BCR-SAM_decoy_scores.csv |
8BEL-UQ5 | data/8B/8BEL-UQ5/8BEL-UQ5_ligand.pdbqt | data/8B/8BEL-UQ5/8BEL-UQ5_target.pdbqt | data/8B/8BEL-UQ5/8BEL-UQ5_decoys.pdbqt | data/8B/8BEL-UQ5/8BEL-UQ5_decoy_scores.csv |
8BLS-GCH | data/8B/8BLS-GCH/8BLS-GCH_ligand.pdbqt | data/8B/8BLS-GCH/8BLS-GCH_target.pdbqt | data/8B/8BLS-GCH/8BLS-GCH_decoys.pdbqt | data/8B/8BLS-GCH/8BLS-GCH_decoy_scores.csv |
8B5Y-P8O | data/8B/8B5Y-P8O/8B5Y-P8O_ligand.pdbqt | data/8B/8B5Y-P8O/8B5Y-P8O_target.pdbqt | data/8B/8B5Y-P8O/8B5Y-P8O_decoys.pdbqt | data/8B/8B5Y-P8O/8B5Y-P8O_decoy_scores.csv |
8BR9-RF6 | data/8B/8BR9-RF6/8BR9-RF6_ligand.pdbqt | data/8B/8BR9-RF6/8BR9-RF6_target.pdbqt | data/8B/8BR9-RF6/8BR9-RF6_decoys.pdbqt | data/8B/8BR9-RF6/8BR9-RF6_decoy_scores.csv |
8BH0-QPO | data/8B/8BH0-QPO/8BH0-QPO_ligand.pdbqt | data/8B/8BH0-QPO/8BH0-QPO_target.pdbqt | data/8B/8BH0-QPO/8BH0-QPO_decoys.pdbqt | data/8B/8BH0-QPO/8BH0-QPO_decoy_scores.csv |
8BLT-TCH | data/8B/8BLT-TCH/8BLT-TCH_ligand.pdbqt | data/8B/8BLT-TCH/8BLT-TCH_target.pdbqt | data/8B/8BLT-TCH/8BLT-TCH_decoys.pdbqt | data/8B/8BLT-TCH/8BLT-TCH_decoy_scores.csv |
8B93-Q8F | data/8B/8B93-Q8F/8B93-Q8F_ligand.pdbqt | data/8B/8B93-Q8F/8B93-Q8F_target.pdbqt | data/8B/8B93-Q8F/8B93-Q8F_decoys.pdbqt | data/8B/8B93-Q8F/8B93-Q8F_decoy_scores.csv |
8BGX-QPF | data/8B/8BGX-QPF/8BGX-QPF_ligand.pdbqt | data/8B/8BGX-QPF/8BGX-QPF_target.pdbqt | data/8B/8BGX-QPF/8BGX-QPF_decoys.pdbqt | data/8B/8BGX-QPF/8BGX-QPF_decoy_scores.csv |
8BT8-RRI | data/8B/8BT8-RRI/8BT8-RRI_ligand.pdbqt | data/8B/8BT8-RRI/8BT8-RRI_target.pdbqt | data/8B/8BT8-RRI/8BT8-RRI_decoys.pdbqt | data/8B/8BT8-RRI/8BT8-RRI_decoy_scores.csv |
8BDF-GDP | data/8B/8BDF-GDP/8BDF-GDP_ligand.pdbqt | data/8B/8BDF-GDP/8BDF-GDP_target.pdbqt | data/8B/8BDF-GDP/8BDF-GDP_decoys.pdbqt | data/8B/8BDF-GDP/8BDF-GDP_decoy_scores.csv |
8BGZ-QOI | data/8B/8BGZ-QOI/8BGZ-QOI_ligand.pdbqt | data/8B/8BGZ-QOI/8BGZ-QOI_target.pdbqt | data/8B/8BGZ-QOI/8BGZ-QOI_decoys.pdbqt | data/8B/8BGZ-QOI/8BGZ-QOI_decoy_scores.csv |
8BAJ-9QN | data/8B/8BAJ-9QN/8BAJ-9QN_ligand.pdbqt | data/8B/8BAJ-9QN/8BAJ-9QN_target.pdbqt | data/8B/8BAJ-9QN/8BAJ-9QN_decoys.pdbqt | data/8B/8BAJ-9QN/8BAJ-9QN_decoy_scores.csv |
8B99-SKE | data/8B/8B99-SKE/8B99-SKE_ligand.pdbqt | data/8B/8B99-SKE/8B99-SKE_target.pdbqt | data/8B/8B99-SKE/8B99-SKE_decoys.pdbqt | data/8B/8B99-SKE/8B99-SKE_decoy_scores.csv |
8BCC-QAU | data/8B/8BCC-QAU/8BCC-QAU_ligand.pdbqt | data/8B/8BCC-QAU/8BCC-QAU_target.pdbqt | data/8B/8BCC-QAU/8BCC-QAU_decoys.pdbqt | data/8B/8BCC-QAU/8BCC-QAU_decoy_scores.csv |
8BAK-AD5 | data/8B/8BAK-AD5/8BAK-AD5_ligand.pdbqt | data/8B/8BAK-AD5/8BAK-AD5_target.pdbqt | data/8B/8BAK-AD5/8BAK-AD5_decoys.pdbqt | data/8B/8BAK-AD5/8BAK-AD5_decoy_scores.csv |
8BBV-HT9 | data/8B/8BBV-HT9/8BBV-HT9_ligand.pdbqt | data/8B/8BBV-HT9/8BBV-HT9_target.pdbqt | data/8B/8BBV-HT9/8BBV-HT9_decoys.pdbqt | data/8B/8BBV-HT9/8BBV-HT9_decoy_scores.csv |
8BCG-Q9I | data/8B/8BCG-Q9I/8BCG-Q9I_ligand.pdbqt | data/8B/8BCG-Q9I/8BCG-Q9I_target.pdbqt | data/8B/8BCG-Q9I/8BCG-Q9I_decoys.pdbqt | data/8B/8BCG-Q9I/8BCG-Q9I_decoy_scores.csv |
8BIR-SAH | data/8B/8BIR-SAH/8BIR-SAH_ligand.pdbqt | data/8B/8BIR-SAH/8BIR-SAH_target.pdbqt | data/8B/8BIR-SAH/8BIR-SAH_decoys.pdbqt | data/8B/8BIR-SAH/8BIR-SAH_decoy_scores.csv |
8B80-BGP | data/8B/8B80-BGP/8B80-BGP_ligand.pdbqt | data/8B/8B80-BGP/8B80-BGP_target.pdbqt | data/8B/8B80-BGP/8B80-BGP_decoys.pdbqt | data/8B/8B80-BGP/8B80-BGP_decoy_scores.csv |
8BDJ-QE0 | data/8B/8BDJ-QE0/8BDJ-QE0_ligand.pdbqt | data/8B/8BDJ-QE0/8BDJ-QE0_target.pdbqt | null | null |
8BGT-TRP | data/8B/8BGT-TRP/8BGT-TRP_ligand.pdbqt | data/8B/8BGT-TRP/8BGT-TRP_target.pdbqt | data/8B/8BGT-TRP/8BGT-TRP_decoys.pdbqt | data/8B/8BGT-TRP/8BGT-TRP_decoy_scores.csv |
8BSN-R0C | data/8B/8BSN-R0C/8BSN-R0C_ligand.pdbqt | data/8B/8BSN-R0C/8BSN-R0C_target.pdbqt | data/8B/8BSN-R0C/8BSN-R0C_decoys.pdbqt | data/8B/8BSN-R0C/8BSN-R0C_decoy_scores.csv |
8BSL-R90 | data/8B/8BSL-R90/8BSL-R90_ligand.pdbqt | data/8B/8BSL-R90/8BSL-R90_target.pdbqt | data/8B/8BSL-R90/8BSL-R90_decoys.pdbqt | data/8B/8BSL-R90/8BSL-R90_decoy_scores.csv |
8BOG-QUU | data/8B/8BOG-QUU/8BOG-QUU_ligand.pdbqt | data/8B/8BOG-QUU/8BOG-QUU_target.pdbqt | data/8B/8BOG-QUU/8BOG-QUU_decoys.pdbqt | data/8B/8BOG-QUU/8BOG-QUU_decoy_scores.csv |
8BIH-QOT | data/8B/8BIH-QOT/8BIH-QOT_ligand.pdbqt | data/8B/8BIH-QOT/8BIH-QOT_target.pdbqt | data/8B/8BIH-QOT/8BIH-QOT_decoys.pdbqt | data/8B/8BIH-QOT/8BIH-QOT_decoy_scores.csv |
8BDM-QE9 | data/8B/8BDM-QE9/8BDM-QE9_ligand.pdbqt | data/8B/8BDM-QE9/8BDM-QE9_target.pdbqt | null | null |
8B9E-Q7F | data/8B/8B9E-Q7F/8B9E-Q7F_ligand.pdbqt | data/8B/8B9E-Q7F/8B9E-Q7F_target.pdbqt | data/8B/8B9E-Q7F/8B9E-Q7F_decoys.pdbqt | data/8B/8B9E-Q7F/8B9E-Q7F_decoy_scores.csv |
8B1N-SAM | data/8B/8B1N-SAM/8B1N-SAM_ligand.pdbqt | data/8B/8B1N-SAM/8B1N-SAM_target.pdbqt | data/8B/8B1N-SAM/8B1N-SAM_decoys.pdbqt | data/8B/8B1N-SAM/8B1N-SAM_decoy_scores.csv |
8BT0-RGO | data/8B/8BT0-RGO/8BT0-RGO_ligand.pdbqt | data/8B/8BT0-RGO/8BT0-RGO_target.pdbqt | data/8B/8BT0-RGO/8BT0-RGO_decoys.pdbqt | data/8B/8BT0-RGO/8BT0-RGO_decoy_scores.csv |
8BB3-P6G | data/8B/8BB3-P6G/8BB3-P6G_ligand.pdbqt | data/8B/8BB3-P6G/8BB3-P6G_target.pdbqt | data/8B/8BB3-P6G/8BB3-P6G_decoys.pdbqt | data/8B/8BB3-P6G/8BB3-P6G_decoy_scores.csv |
8BDE-R3Q | data/8B/8BDE-R3Q/8BDE-R3Q_ligand.pdbqt | data/8B/8BDE-R3Q/8BDE-R3Q_target.pdbqt | data/8B/8BDE-R3Q/8BDE-R3Q_decoys.pdbqt | data/8B/8BDE-R3Q/8BDE-R3Q_decoy_scores.csv |
8BW4-Y3S | data/8B/8BW4-Y3S/8BW4-Y3S_ligand.pdbqt | data/8B/8BW4-Y3S/8BW4-Y3S_target.pdbqt | data/8B/8BW4-Y3S/8BW4-Y3S_decoys.pdbqt | data/8B/8BW4-Y3S/8BW4-Y3S_decoy_scores.csv |
8BDE-ACP | data/8B/8BDE-ACP/8BDE-ACP_ligand.pdbqt | data/8B/8BDE-ACP/8BDE-ACP_target.pdbqt | data/8B/8BDE-ACP/8BDE-ACP_decoys.pdbqt | data/8B/8BDE-ACP/8BDE-ACP_decoy_scores.csv |
8BIB-QOI | data/8B/8BIB-QOI/8BIB-QOI_ligand.pdbqt | data/8B/8BIB-QOI/8BIB-QOI_target.pdbqt | data/8B/8BIB-QOI/8BIB-QOI_decoys.pdbqt | data/8B/8BIB-QOI/8BIB-QOI_decoy_scores.csv |
8BIE-SAH | data/8B/8BIE-SAH/8BIE-SAH_ligand.pdbqt | data/8B/8BIE-SAH/8BIE-SAH_target.pdbqt | data/8B/8BIE-SAH/8BIE-SAH_decoys.pdbqt | data/8B/8BIE-SAH/8BIE-SAH_decoy_scores.csv |
8BT7-RL6 | data/8B/8BT7-RL6/8BT7-RL6_ligand.pdbqt | data/8B/8BT7-RL6/8BT7-RL6_target.pdbqt | data/8B/8BT7-RL6/8BT7-RL6_decoys.pdbqt | data/8B/8BT7-RL6/8BT7-RL6_decoy_scores.csv |
8BCR-AT9 | data/8B/8BCR-AT9/8BCR-AT9_ligand.pdbqt | data/8B/8BCR-AT9/8BCR-AT9_target.pdbqt | data/8B/8BCR-AT9/8BCR-AT9_decoys.pdbqt | data/8B/8BCR-AT9/8BCR-AT9_decoy_scores.csv |
8BIB-SAH | data/8B/8BIB-SAH/8BIB-SAH_ligand.pdbqt | data/8B/8BIB-SAH/8BIB-SAH_target.pdbqt | data/8B/8BIB-SAH/8BIB-SAH_decoys.pdbqt | data/8B/8BIB-SAH/8BIB-SAH_decoy_scores.csv |
8BSG-DIF | data/8B/8BSG-DIF/8BSG-DIF_ligand.pdbqt | data/8B/8BSG-DIF/8BSG-DIF_target.pdbqt | data/8B/8BSG-DIF/8BSG-DIF_decoys.pdbqt | data/8B/8BSG-DIF/8BSG-DIF_decoy_scores.csv |
8BDG-GDP | data/8B/8BDG-GDP/8BDG-GDP_ligand.pdbqt | data/8B/8BDG-GDP/8BDG-GDP_target.pdbqt | data/8B/8BDG-GDP/8BDG-GDP_decoys.pdbqt | data/8B/8BDG-GDP/8BDG-GDP_decoy_scores.csv |
8BGY-SAH | data/8B/8BGY-SAH/8BGY-SAH_ligand.pdbqt | data/8B/8BGY-SAH/8BGY-SAH_target.pdbqt | data/8B/8BGY-SAH/8BGY-SAH_decoys.pdbqt | data/8B/8BGY-SAH/8BGY-SAH_decoy_scores.csv |
8BA2-Q9X | data/8B/8BA2-Q9X/8BA2-Q9X_ligand.pdbqt | data/8B/8BA2-Q9X/8BA2-Q9X_target.pdbqt | data/8B/8BA2-Q9X/8BA2-Q9X_decoys.pdbqt | data/8B/8BA2-Q9X/8BA2-Q9X_decoy_scores.csv |
8BDF-GTP | data/8B/8BDF-GTP/8BDF-GTP_ligand.pdbqt | data/8B/8BDF-GTP/8BDF-GTP_target.pdbqt | data/8B/8BDF-GTP/8BDF-GTP_decoys.pdbqt | data/8B/8BDF-GTP/8BDF-GTP_decoy_scores.csv |
8B1V-ORZ | data/8B/8B1V-ORZ/8B1V-ORZ_ligand.pdbqt | data/8B/8B1V-ORZ/8B1V-ORZ_target.pdbqt | data/8B/8B1V-ORZ/8B1V-ORZ_decoys.pdbqt | data/8B/8B1V-ORZ/8B1V-ORZ_decoy_scores.csv |
8BRO-R7E | data/8B/8BRO-R7E/8BRO-R7E_ligand.pdbqt | data/8B/8BRO-R7E/8BRO-R7E_target.pdbqt | data/8B/8BRO-R7E/8BRO-R7E_decoys.pdbqt | data/8B/8BRO-R7E/8BRO-R7E_decoy_scores.csv |
8B72-M25 | data/8B/8B72-M25/8B72-M25_ligand.pdbqt | data/8B/8B72-M25/8B72-M25_target.pdbqt | data/8B/8B72-M25/8B72-M25_decoys.pdbqt | data/8B/8B72-M25/8B72-M25_decoy_scores.csv |
8BTA-RC6 | data/8B/8BTA-RC6/8BTA-RC6_ligand.pdbqt | data/8B/8BTA-RC6/8BTA-RC6_target.pdbqt | data/8B/8BTA-RC6/8BTA-RC6_decoys.pdbqt | data/8B/8BTA-RC6/8BTA-RC6_decoy_scores.csv |
8B2T-OW1 | data/8B/8B2T-OW1/8B2T-OW1_ligand.pdbqt | data/8B/8B2T-OW1/8B2T-OW1_target.pdbqt | data/8B/8B2T-OW1/8B2T-OW1_decoys.pdbqt | data/8B/8B2T-OW1/8B2T-OW1_decoy_scores.csv |
8BSP-RD9 | data/8B/8BSP-RD9/8BSP-RD9_ligand.pdbqt | data/8B/8BSP-RD9/8BSP-RD9_target.pdbqt | data/8B/8BSP-RD9/8BSP-RD9_decoys.pdbqt | data/8B/8BSP-RD9/8BSP-RD9_decoy_scores.csv |
8BC7-EF2 | data/8B/8BC7-EF2/8BC7-EF2_ligand.pdbqt | data/8B/8BC7-EF2/8BC7-EF2_target.pdbqt | data/8B/8BC7-EF2/8BC7-EF2_decoys.pdbqt | data/8B/8BC7-EF2/8BC7-EF2_decoy_scores.csv |
8BEH-8Q1 | data/8B/8BEH-8Q1/8BEH-8Q1_ligand.pdbqt | data/8B/8BEH-8Q1/8BEH-8Q1_target.pdbqt | data/8B/8BEH-8Q1/8BEH-8Q1_decoys.pdbqt | data/8B/8BEH-8Q1/8BEH-8Q1_decoy_scores.csv |
8BCE-B09 | data/8B/8BCE-B09/8BCE-B09_ligand.pdbqt | data/8B/8BCE-B09/8BCE-B09_target.pdbqt | data/8B/8BCE-B09/8BCE-B09_decoys.pdbqt | data/8B/8BCE-B09/8BCE-B09_decoy_scores.csv |
8BGZ-SAH | data/8B/8BGZ-SAH/8BGZ-SAH_ligand.pdbqt | data/8B/8BGZ-SAH/8BGZ-SAH_target.pdbqt | data/8B/8BGZ-SAH/8BGZ-SAH_decoys.pdbqt | data/8B/8BGZ-SAH/8BGZ-SAH_decoy_scores.csv |
8BOM-QU6 | data/8B/8BOM-QU6/8BOM-QU6_ligand.pdbqt | data/8B/8BOM-QU6/8BOM-QU6_target.pdbqt | data/8B/8BOM-QU6/8BOM-QU6_decoys.pdbqt | data/8B/8BOM-QU6/8BOM-QU6_decoy_scores.csv |
8BDG-GTP | data/8B/8BDG-GTP/8BDG-GTP_ligand.pdbqt | data/8B/8BDG-GTP/8BDG-GTP_target.pdbqt | data/8B/8BDG-GTP/8BDG-GTP_decoys.pdbqt | data/8B/8BDG-GTP/8BDG-GTP_decoy_scores.csv |
8BGY-QP3 | data/8B/8BGY-QP3/8BGY-QP3_ligand.pdbqt | data/8B/8BGY-QP3/8BGY-QP3_target.pdbqt | data/8B/8BGY-QP3/8BGY-QP3_decoys.pdbqt | data/8B/8BGY-QP3/8BGY-QP3_decoy_scores.csv |
8BTE-RIX | data/8B/8BTE-RIX/8BTE-RIX_ligand.pdbqt | data/8B/8BTE-RIX/8BTE-RIX_target.pdbqt | data/8B/8BTE-RIX/8BTE-RIX_decoys.pdbqt | data/8B/8BTE-RIX/8BTE-RIX_decoy_scores.csv |
8BAB-Q8N | data/8B/8BAB-Q8N/8BAB-Q8N_ligand.pdbqt | data/8B/8BAB-Q8N/8BAB-Q8N_target.pdbqt | data/8B/8BAB-Q8N/8BAB-Q8N_decoys.pdbqt | data/8B/8BAB-Q8N/8BAB-Q8N_decoy_scores.csv |
221P-GNP | data/22/221P-GNP/221P-GNP_ligand.pdbqt | data/22/221P-GNP/221P-GNP_target.pdbqt | data/22/221P-GNP/221P-GNP_decoys.pdbqt | data/22/221P-GNP/221P-GNP_decoy_scores.csv |
4QE5-RUU | data/4Q/4QE5-RUU/4QE5-RUU_ligand.pdbqt | data/4Q/4QE5-RUU/4QE5-RUU_target.pdbqt | data/4Q/4QE5-RUU/4QE5-RUU_decoys.pdbqt | data/4Q/4QE5-RUU/4QE5-RUU_decoy_scores.csv |
4Q4E-BB2 | data/4Q/4Q4E-BB2/4Q4E-BB2_ligand.pdbqt | data/4Q/4Q4E-BB2/4Q4E-BB2_target.pdbqt | data/4Q/4Q4E-BB2/4Q4E-BB2_decoys.pdbqt | data/4Q/4Q4E-BB2/4Q4E-BB2_decoy_scores.csv |
4QM0-39K | data/4Q/4QM0-39K/4QM0-39K_ligand.pdbqt | data/4Q/4QM0-39K/4QM0-39K_target.pdbqt | data/4Q/4QM0-39K/4QM0-39K_decoys.pdbqt | data/4Q/4QM0-39K/4QM0-39K_decoy_scores.csv |
4QK7-OLB | data/4Q/4QK7-OLB/4QK7-OLB_ligand.pdbqt | data/4Q/4QK7-OLB/4QK7-OLB_target.pdbqt | data/4Q/4QK7-OLB/4QK7-OLB_decoys.pdbqt | data/4Q/4QK7-OLB/4QK7-OLB_decoy_scores.csv |
4QSP-ALY | data/4Q/4QSP-ALY/4QSP-ALY_ligand.pdbqt | data/4Q/4QSP-ALY/4QSP-ALY_target.pdbqt | data/4Q/4QSP-ALY/4QSP-ALY_decoys.pdbqt | data/4Q/4QSP-ALY/4QSP-ALY_decoy_scores.csv |
4QAF-OMA | data/4Q/4QAF-OMA/4QAF-OMA_ligand.pdbqt | data/4Q/4QAF-OMA/4QAF-OMA_target.pdbqt | data/4Q/4QAF-OMA/4QAF-OMA_decoys.pdbqt | data/4Q/4QAF-OMA/4QAF-OMA_decoy_scores.csv |
4QGX-LMC | data/4Q/4QGX-LMC/4QGX-LMC_ligand.pdbqt | data/4Q/4QGX-LMC/4QGX-LMC_target.pdbqt | data/4Q/4QGX-LMC/4QGX-LMC_decoys.pdbqt | data/4Q/4QGX-LMC/4QGX-LMC_decoy_scores.csv |
4QY2-SIA | data/4Q/4QY2-SIA/4QY2-SIA_ligand.pdbqt | data/4Q/4QY2-SIA/4QY2-SIA_target.pdbqt | data/4Q/4QY2-SIA/4QY2-SIA_decoys.pdbqt | data/4Q/4QY2-SIA/4QY2-SIA_decoy_scores.csv |
4QNE-IMP | data/4Q/4QNE-IMP/4QNE-IMP_ligand.pdbqt | data/4Q/4QNE-IMP/4QNE-IMP_target.pdbqt | data/4Q/4QNE-IMP/4QNE-IMP_decoys.pdbqt | data/4Q/4QNE-IMP/4QNE-IMP_decoy_scores.csv |
4Q1A-2XZ | data/4Q/4Q1A-2XZ/4Q1A-2XZ_ligand.pdbqt | data/4Q/4Q1A-2XZ/4Q1A-2XZ_target.pdbqt | data/4Q/4Q1A-2XZ/4Q1A-2XZ_decoys.pdbqt | data/4Q/4Q1A-2XZ/4Q1A-2XZ_decoy_scores.csv |
4Q3U-NNH | data/4Q/4Q3U-NNH/4Q3U-NNH_ligand.pdbqt | data/4Q/4Q3U-NNH/4Q3U-NNH_target.pdbqt | data/4Q/4Q3U-NNH/4Q3U-NNH_decoys.pdbqt | data/4Q/4Q3U-NNH/4Q3U-NNH_decoy_scores.csv |
4Q9N-0WE | data/4Q/4Q9N-0WE/4Q9N-0WE_ligand.pdbqt | data/4Q/4Q9N-0WE/4Q9N-0WE_target.pdbqt | data/4Q/4Q9N-0WE/4Q9N-0WE_decoys.pdbqt | data/4Q/4Q9N-0WE/4Q9N-0WE_decoy_scores.csv |
4Q6E-BCN | data/4Q/4Q6E-BCN/4Q6E-BCN_ligand.pdbqt | data/4Q/4Q6E-BCN/4Q6E-BCN_target.pdbqt | data/4Q/4Q6E-BCN/4Q6E-BCN_decoys.pdbqt | data/4Q/4Q6E-BCN/4Q6E-BCN_decoy_scores.csv |
4QHP-32Q | data/4Q/4QHP-32Q/4QHP-32Q_ligand.pdbqt | data/4Q/4QHP-32Q/4QHP-32Q_target.pdbqt | data/4Q/4QHP-32Q/4QHP-32Q_decoys.pdbqt | data/4Q/4QHP-32Q/4QHP-32Q_decoy_scores.csv |
4Q1B-UDP | data/4Q/4Q1B-UDP/4Q1B-UDP_ligand.pdbqt | data/4Q/4Q1B-UDP/4Q1B-UDP_target.pdbqt | data/4Q/4Q1B-UDP/4Q1B-UDP_decoys.pdbqt | data/4Q/4Q1B-UDP/4Q1B-UDP_decoy_scores.csv |
4QVX-3CQ | data/4Q/4QVX-3CQ/4QVX-3CQ_ligand.pdbqt | data/4Q/4QVX-3CQ/4QVX-3CQ_target.pdbqt | data/4Q/4QVX-3CQ/4QVX-3CQ_decoys.pdbqt | data/4Q/4QVX-3CQ/4QVX-3CQ_decoy_scores.csv |
4QOJ-STL | data/4Q/4QOJ-STL/4QOJ-STL_ligand.pdbqt | data/4Q/4QOJ-STL/4QOJ-STL_target.pdbqt | data/4Q/4QOJ-STL/4QOJ-STL_decoys.pdbqt | data/4Q/4QOJ-STL/4QOJ-STL_decoy_scores.csv |
4Q1E-2Y7 | data/4Q/4Q1E-2Y7/4Q1E-2Y7_ligand.pdbqt | data/4Q/4Q1E-2Y7/4Q1E-2Y7_target.pdbqt | data/4Q/4Q1E-2Y7/4Q1E-2Y7_decoys.pdbqt | data/4Q/4Q1E-2Y7/4Q1E-2Y7_decoy_scores.csv |
4QTE-390 | data/4Q/4QTE-390/4QTE-390_ligand.pdbqt | data/4Q/4QTE-390/4QTE-390_target.pdbqt | data/4Q/4QTE-390/4QTE-390_decoys.pdbqt | data/4Q/4QTE-390/4QTE-390_decoy_scores.csv |
4QTF-3V5 | data/4Q/4QTF-3V5/4QTF-3V5_ligand.pdbqt | data/4Q/4QTF-3V5/4QTF-3V5_target.pdbqt | data/4Q/4QTF-3V5/4QTF-3V5_decoys.pdbqt | data/4Q/4QTF-3V5/4QTF-3V5_decoy_scores.csv |
4Q0L-V14 | data/4Q/4Q0L-V14/4Q0L-V14_ligand.pdbqt | data/4Q/4Q0L-V14/4Q0L-V14_target.pdbqt | data/4Q/4Q0L-V14/4Q0L-V14_decoys.pdbqt | data/4Q/4Q0L-V14/4Q0L-V14_decoy_scores.csv |
4QNE-NAJ | data/4Q/4QNE-NAJ/4QNE-NAJ_ligand.pdbqt | data/4Q/4QNE-NAJ/4QNE-NAJ_target.pdbqt | data/4Q/4QNE-NAJ/4QNE-NAJ_decoys.pdbqt | data/4Q/4QNE-NAJ/4QNE-NAJ_decoy_scores.csv |
4Q08-V90 | data/4Q/4Q08-V90/4Q08-V90_ligand.pdbqt | data/4Q/4Q08-V90/4Q08-V90_target.pdbqt | data/4Q/4Q08-V90/4Q08-V90_decoys.pdbqt | data/4Q/4Q08-V90/4Q08-V90_decoy_scores.csv |
4QYS-SEP | data/4Q/4QYS-SEP/4QYS-SEP_ligand.pdbqt | data/4Q/4QYS-SEP/4QYS-SEP_target.pdbqt | data/4Q/4QYS-SEP/4QYS-SEP_decoys.pdbqt | data/4Q/4QYS-SEP/4QYS-SEP_decoy_scores.csv |
4QA7-MCM | data/4Q/4QA7-MCM/4QA7-MCM_ligand.pdbqt | data/4Q/4QA7-MCM/4QA7-MCM_target.pdbqt | data/4Q/4QA7-MCM/4QA7-MCM_decoys.pdbqt | data/4Q/4QA7-MCM/4QA7-MCM_decoy_scores.csv |
4QSV-THM | data/4Q/4QSV-THM/4QSV-THM_ligand.pdbqt | data/4Q/4QSV-THM/4QSV-THM_target.pdbqt | data/4Q/4QSV-THM/4QSV-THM_decoys.pdbqt | data/4Q/4QSV-THM/4QSV-THM_decoy_scores.csv |
4QU3-1RG | data/4Q/4QU3-1RG/4QU3-1RG_ligand.pdbqt | data/4Q/4QU3-1RG/4QU3-1RG_target.pdbqt | data/4Q/4QU3-1RG/4QU3-1RG_decoys.pdbqt | data/4Q/4QU3-1RG/4QU3-1RG_decoy_scores.csv |
4QXS-WC1 | data/4Q/4QXS-WC1/4QXS-WC1_ligand.pdbqt | data/4Q/4QXS-WC1/4QXS-WC1_target.pdbqt | data/4Q/4QXS-WC1/4QXS-WC1_decoys.pdbqt | data/4Q/4QXS-WC1/4QXS-WC1_decoy_scores.csv |
4QPS-37Q | data/4Q/4QPS-37Q/4QPS-37Q_ligand.pdbqt | data/4Q/4QPS-37Q/4QPS-37Q_target.pdbqt | data/4Q/4QPS-37Q/4QPS-37Q_decoys.pdbqt | data/4Q/4QPS-37Q/4QPS-37Q_decoy_scores.csv |
4QGD-PZZ | data/4Q/4QGD-PZZ/4QGD-PZZ_ligand.pdbqt | data/4Q/4QGD-PZZ/4QGD-PZZ_target.pdbqt | data/4Q/4QGD-PZZ/4QGD-PZZ_decoys.pdbqt | data/4Q/4QGD-PZZ/4QGD-PZZ_decoy_scores.csv |
4QA6-MCM | data/4Q/4QA6-MCM/4QA6-MCM_ligand.pdbqt | data/4Q/4QA6-MCM/4QA6-MCM_target.pdbqt | data/4Q/4QA6-MCM/4QA6-MCM_decoys.pdbqt | data/4Q/4QA6-MCM/4QA6-MCM_decoy_scores.csv |
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