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 ⌀ |
|---|---|---|---|---|
4PU2-PLU | data/4P/4PU2-PLU/4PU2-PLU_ligand.pdbqt | data/4P/4PU2-PLU/4PU2-PLU_target.pdbqt | data/4P/4PU2-PLU/4PU2-PLU_decoys.pdbqt | data/4P/4PU2-PLU/4PU2-PLU_decoy_scores.csv |
4PLY-NAI | data/4P/4PLY-NAI/4PLY-NAI_ligand.pdbqt | data/4P/4PLY-NAI/4PLY-NAI_target.pdbqt | data/4P/4PLY-NAI/4PLY-NAI_decoys.pdbqt | data/4P/4PLY-NAI/4PLY-NAI_decoy_scores.csv |
4PB2-5UD | data/4P/4PB2-5UD/4PB2-5UD_ligand.pdbqt | data/4P/4PB2-5UD/4PB2-5UD_target.pdbqt | data/4P/4PB2-5UD/4PB2-5UD_decoys.pdbqt | data/4P/4PB2-5UD/4PB2-5UD_decoy_scores.csv |
4PME-CUR | data/4P/4PME-CUR/4PME-CUR_ligand.pdbqt | data/4P/4PME-CUR/4PME-CUR_target.pdbqt | data/4P/4PME-CUR/4PME-CUR_decoys.pdbqt | data/4P/4PME-CUR/4PME-CUR_decoy_scores.csv |
4PJ0-BCR | data/4P/4PJ0-BCR/4PJ0-BCR_ligand.pdbqt | data/4P/4PJ0-BCR/4PJ0-BCR_target.pdbqt | data/4P/4PJ0-BCR/4PJ0-BCR_decoys.pdbqt | data/4P/4PJ0-BCR/4PJ0-BCR_decoy_scores.csv |
4P83-U5P | data/4P/4P83-U5P/4P83-U5P_ligand.pdbqt | data/4P/4P83-U5P/4P83-U5P_target.pdbqt | data/4P/4P83-U5P/4P83-U5P_decoys.pdbqt | data/4P/4P83-U5P/4P83-U5P_decoy_scores.csv |
4P6W-MOF | data/4P/4P6W-MOF/4P6W-MOF_ligand.pdbqt | data/4P/4P6W-MOF/4P6W-MOF_target.pdbqt | data/4P/4P6W-MOF/4P6W-MOF_decoys.pdbqt | data/4P/4P6W-MOF/4P6W-MOF_decoy_scores.csv |
4PXZ-CLR | data/4P/4PXZ-CLR/4PXZ-CLR_ligand.pdbqt | data/4P/4PXZ-CLR/4PXZ-CLR_target.pdbqt | data/4P/4PXZ-CLR/4PXZ-CLR_decoys.pdbqt | data/4P/4PXZ-CLR/4PXZ-CLR_decoy_scores.csv |
4POP-P6G | data/4P/4POP-P6G/4POP-P6G_ligand.pdbqt | data/4P/4POP-P6G/4POP-P6G_target.pdbqt | data/4P/4POP-P6G/4POP-P6G_decoys.pdbqt | data/4P/4POP-P6G/4POP-P6G_decoy_scores.csv |
4PSQ-2WL | data/4P/4PSQ-2WL/4PSQ-2WL_ligand.pdbqt | data/4P/4PSQ-2WL/4PSQ-2WL_target.pdbqt | data/4P/4PSQ-2WL/4PSQ-2WL_decoys.pdbqt | data/4P/4PSQ-2WL/4PSQ-2WL_decoy_scores.csv |
4PCI-2NJ | data/4P/4PCI-2NJ/4PCI-2NJ_ligand.pdbqt | data/4P/4PCI-2NJ/4PCI-2NJ_target.pdbqt | data/4P/4PCI-2NJ/4PCI-2NJ_decoys.pdbqt | data/4P/4PCI-2NJ/4PCI-2NJ_decoy_scores.csv |
4PKU-30P | data/4P/4PKU-30P/4PKU-30P_ligand.pdbqt | data/4P/4PKU-30P/4PKU-30P_target.pdbqt | data/4P/4PKU-30P/4PKU-30P_decoys.pdbqt | data/4P/4PKU-30P/4PKU-30P_decoy_scores.csv |
4PKW-GM6 | data/4P/4PKW-GM6/4PKW-GM6_ligand.pdbqt | data/4P/4PKW-GM6/4PKW-GM6_target.pdbqt | data/4P/4PKW-GM6/4PKW-GM6_decoys.pdbqt | data/4P/4PKW-GM6/4PKW-GM6_decoy_scores.csv |
4PME-FER | data/4P/4PME-FER/4PME-FER_ligand.pdbqt | data/4P/4PME-FER/4PME-FER_target.pdbqt | data/4P/4PME-FER/4PME-FER_decoys.pdbqt | data/4P/4PME-FER/4PME-FER_decoy_scores.csv |
4PFM-LYS | data/4P/4PFM-LYS/4PFM-LYS_ligand.pdbqt | data/4P/4PFM-LYS/4PFM-LYS_target.pdbqt | data/4P/4PFM-LYS/4PFM-LYS_decoys.pdbqt | data/4P/4PFM-LYS/4PFM-LYS_decoy_scores.csv |
4PNI-KQQ | data/4P/4PNI-KQQ/4PNI-KQQ_ligand.pdbqt | data/4P/4PNI-KQQ/4PNI-KQQ_target.pdbqt | data/4P/4PNI-KQQ/4PNI-KQQ_decoys.pdbqt | data/4P/4PNI-KQQ/4PNI-KQQ_decoy_scores.csv |
4POV-P6G | data/4P/4POV-P6G/4POV-P6G_ligand.pdbqt | data/4P/4POV-P6G/4POV-P6G_target.pdbqt | data/4P/4POV-P6G/4POV-P6G_decoys.pdbqt | data/4P/4POV-P6G/4POV-P6G_decoy_scores.csv |
4PRX-ADP | data/4P/4PRX-ADP/4PRX-ADP_ligand.pdbqt | data/4P/4PRX-ADP/4PRX-ADP_target.pdbqt | data/4P/4PRX-ADP/4PRX-ADP_decoys.pdbqt | data/4P/4PRX-ADP/4PRX-ADP_decoy_scores.csv |
4P5A-5BU | data/4P/4P5A-5BU/4P5A-5BU_ligand.pdbqt | data/4P/4P5A-5BU/4P5A-5BU_target.pdbqt | data/4P/4P5A-5BU/4P5A-5BU_decoys.pdbqt | data/4P/4P5A-5BU/4P5A-5BU_decoy_scores.csv |
4PU5-ANP | data/4P/4PU5-ANP/4PU5-ANP_ligand.pdbqt | data/4P/4PU5-ANP/4PU5-ANP_target.pdbqt | data/4P/4PU5-ANP/4PU5-ANP_decoys.pdbqt | data/4P/4PU5-ANP/4PU5-ANP_decoy_scores.csv |
4PXX-CHD | data/4P/4PXX-CHD/4PXX-CHD_ligand.pdbqt | data/4P/4PXX-CHD/4PXX-CHD_target.pdbqt | data/4P/4PXX-CHD/4PXX-CHD_decoys.pdbqt | data/4P/4PXX-CHD/4PXX-CHD_decoy_scores.csv |
4PUM-2WU | data/4P/4PUM-2WU/4PUM-2WU_ligand.pdbqt | data/4P/4PUM-2WU/4PUM-2WU_target.pdbqt | data/4P/4PUM-2WU/4PUM-2WU_decoys.pdbqt | data/4P/4PUM-2WU/4PUM-2WU_decoy_scores.csv |
4P0W-1XH | data/4P/4P0W-1XH/4P0W-1XH_ligand.pdbqt | data/4P/4P0W-1XH/4P0W-1XH_target.pdbqt | data/4P/4P0W-1XH/4P0W-1XH_decoys.pdbqt | data/4P/4P0W-1XH/4P0W-1XH_decoy_scores.csv |
4P7A-ADP | data/4P/4P7A-ADP/4P7A-ADP_ligand.pdbqt | data/4P/4P7A-ADP/4P7A-ADP_target.pdbqt | data/4P/4P7A-ADP/4P7A-ADP_decoys.pdbqt | data/4P/4P7A-ADP/4P7A-ADP_decoy_scores.csv |
4PTZ-FMN | data/4P/4PTZ-FMN/4PTZ-FMN_ligand.pdbqt | data/4P/4PTZ-FMN/4PTZ-FMN_target.pdbqt | data/4P/4PTZ-FMN/4PTZ-FMN_decoys.pdbqt | data/4P/4PTZ-FMN/4PTZ-FMN_decoy_scores.csv |
4PGP-IAC | data/4P/4PGP-IAC/4PGP-IAC_ligand.pdbqt | data/4P/4PGP-IAC/4PGP-IAC_target.pdbqt | data/4P/4PGP-IAC/4PGP-IAC_decoys.pdbqt | data/4P/4PGP-IAC/4PGP-IAC_decoy_scores.csv |
4PLG-NAI | data/4P/4PLG-NAI/4PLG-NAI_ligand.pdbqt | data/4P/4PLG-NAI/4PLG-NAI_target.pdbqt | data/4P/4PLG-NAI/4PLG-NAI_decoys.pdbqt | data/4P/4PLG-NAI/4PLG-NAI_decoy_scores.csv |
4P8R-NAD | data/4P/4P8R-NAD/4P8R-NAD_ligand.pdbqt | data/4P/4P8R-NAD/4P8R-NAD_target.pdbqt | data/4P/4P8R-NAD/4P8R-NAD_decoys.pdbqt | data/4P/4P8R-NAD/4P8R-NAD_decoy_scores.csv |
4POH-2VR | data/4P/4POH-2VR/4POH-2VR_ligand.pdbqt | data/4P/4POH-2VR/4POH-2VR_target.pdbqt | data/4P/4POH-2VR/4POH-2VR_decoys.pdbqt | data/4P/4POH-2VR/4POH-2VR_decoy_scores.csv |
4PWK-PWK | data/4P/4PWK-PWK/4PWK-PWK_ligand.pdbqt | data/4P/4PWK-PWK/4PWK-PWK_target.pdbqt | data/4P/4PWK-PWK/4PWK-PWK_decoys.pdbqt | data/4P/4PWK-PWK/4PWK-PWK_decoy_scores.csv |
4PA5-FLC | data/4P/4PA5-FLC/4PA5-FLC_ligand.pdbqt | data/4P/4PA5-FLC/4PA5-FLC_target.pdbqt | data/4P/4PA5-FLC/4PA5-FLC_decoys.pdbqt | data/4P/4PA5-FLC/4PA5-FLC_decoy_scores.csv |
4PFK-ADP | data/4P/4PFK-ADP/4PFK-ADP_ligand.pdbqt | data/4P/4PFK-ADP/4PFK-ADP_target.pdbqt | data/4P/4PFK-ADP/4PFK-ADP_decoys.pdbqt | data/4P/4PFK-ADP/4PFK-ADP_decoy_scores.csv |
4PWG-0XR | data/4P/4PWG-0XR/4PWG-0XR_ligand.pdbqt | data/4P/4PWG-0XR/4PWG-0XR_target.pdbqt | data/4P/4PWG-0XR/4PWG-0XR_decoys.pdbqt | data/4P/4PWG-0XR/4PWG-0XR_decoy_scores.csv |
4P8P-2J3 | data/4P/4P8P-2J3/4P8P-2J3_ligand.pdbqt | data/4P/4P8P-2J3/4P8P-2J3_target.pdbqt | data/4P/4P8P-2J3/4P8P-2J3_decoys.pdbqt | data/4P/4P8P-2J3/4P8P-2J3_decoy_scores.csv |
4P0W-ZOL | data/4P/4P0W-ZOL/4P0W-ZOL_ligand.pdbqt | data/4P/4P0W-ZOL/4P0W-ZOL_target.pdbqt | data/4P/4P0W-ZOL/4P0W-ZOL_decoys.pdbqt | data/4P/4P0W-ZOL/4P0W-ZOL_decoy_scores.csv |
4P3R-FOL | data/4P/4P3R-FOL/4P3R-FOL_ligand.pdbqt | data/4P/4P3R-FOL/4P3R-FOL_target.pdbqt | data/4P/4P3R-FOL/4P3R-FOL_decoys.pdbqt | data/4P/4P3R-FOL/4P3R-FOL_decoy_scores.csv |
4PQN-P4G | data/4P/4PQN-P4G/4PQN-P4G_ligand.pdbqt | data/4P/4PQN-P4G/4PQN-P4G_target.pdbqt | data/4P/4PQN-P4G/4PQN-P4G_decoys.pdbqt | data/4P/4PQN-P4G/4PQN-P4G_decoy_scores.csv |
4PZY-2XR | data/4P/4PZY-2XR/4PZY-2XR_ligand.pdbqt | data/4P/4PZY-2XR/4PZY-2XR_target.pdbqt | data/4P/4PZY-2XR/4PZY-2XR_decoys.pdbqt | data/4P/4PZY-2XR/4PZY-2XR_decoy_scores.csv |
4PNR-G18 | data/4P/4PNR-G18/4PNR-G18_ligand.pdbqt | data/4P/4PNR-G18/4PNR-G18_target.pdbqt | data/4P/4PNR-G18/4PNR-G18_decoys.pdbqt | data/4P/4PNR-G18/4PNR-G18_decoy_scores.csv |
4PTE-2WF | data/4P/4PTE-2WF/4PTE-2WF_ligand.pdbqt | data/4P/4PTE-2WF/4PTE-2WF_target.pdbqt | data/4P/4PTE-2WF/4PTE-2WF_decoys.pdbqt | data/4P/4PTE-2WF/4PTE-2WF_decoy_scores.csv |
4PX5-2WZ | data/4P/4PX5-2WZ/4PX5-2WZ_ligand.pdbqt | data/4P/4PX5-2WZ/4PX5-2WZ_target.pdbqt | data/4P/4PX5-2WZ/4PX5-2WZ_decoys.pdbqt | data/4P/4PX5-2WZ/4PX5-2WZ_decoy_scores.csv |
4PNY-THP | data/4P/4PNY-THP/4PNY-THP_ligand.pdbqt | data/4P/4PNY-THP/4PNY-THP_target.pdbqt | data/4P/4PNY-THP/4PNY-THP_decoys.pdbqt | data/4P/4PNY-THP/4PNY-THP_decoy_scores.csv |
4PM5-CE3 | data/4P/4PM5-CE3/4PM5-CE3_ligand.pdbqt | data/4P/4PM5-CE3/4PM5-CE3_target.pdbqt | data/4P/4PM5-CE3/4PM5-CE3_decoys.pdbqt | data/4P/4PM5-CE3/4PM5-CE3_decoy_scores.csv |
4P04-MPO | data/4P/4P04-MPO/4P04-MPO_ligand.pdbqt | data/4P/4P04-MPO/4P04-MPO_target.pdbqt | data/4P/4P04-MPO/4P04-MPO_decoys.pdbqt | data/4P/4P04-MPO/4P04-MPO_decoy_scores.csv |
4PM7-CE3 | data/4P/4PM7-CE3/4PM7-CE3_ligand.pdbqt | data/4P/4PM7-CE3/4PM7-CE3_target.pdbqt | data/4P/4PM7-CE3/4PM7-CE3_decoys.pdbqt | data/4P/4PM7-CE3/4PM7-CE3_decoy_scores.csv |
4PMM-31V | data/4P/4PMM-31V/4PMM-31V_ligand.pdbqt | data/4P/4PMM-31V/4PMM-31V_target.pdbqt | data/4P/4PMM-31V/4PMM-31V_decoys.pdbqt | data/4P/4PMM-31V/4PMM-31V_decoy_scores.csv |
4PIQ-3FS | data/4P/4PIQ-3FS/4PIQ-3FS_ligand.pdbqt | data/4P/4PIQ-3FS/4PIQ-3FS_target.pdbqt | data/4P/4PIQ-3FS/4PIQ-3FS_decoys.pdbqt | data/4P/4PIQ-3FS/4PIQ-3FS_decoy_scores.csv |
4PAB-THG | data/4P/4PAB-THG/4PAB-THG_ligand.pdbqt | data/4P/4PAB-THG/4PAB-THG_target.pdbqt | data/4P/4PAB-THG/4PAB-THG_decoys.pdbqt | data/4P/4PAB-THG/4PAB-THG_decoy_scores.csv |
4PX6-2X6 | data/4P/4PX6-2X6/4PX6-2X6_ligand.pdbqt | data/4P/4PX6-2X6/4PX6-2X6_target.pdbqt | data/4P/4PX6-2X6/4PX6-2X6_decoys.pdbqt | data/4P/4PX6-2X6/4PX6-2X6_decoy_scores.csv |
4PPS-ESE | data/4P/4PPS-ESE/4PPS-ESE_ligand.pdbqt | data/4P/4PPS-ESE/4PPS-ESE_target.pdbqt | data/4P/4PPS-ESE/4PPS-ESE_decoys.pdbqt | data/4P/4PPS-ESE/4PPS-ESE_decoy_scores.csv |
4PDY-HIS | data/4P/4PDY-HIS/4PDY-HIS_ligand.pdbqt | data/4P/4PDY-HIS/4PDY-HIS_target.pdbqt | data/4P/4PDY-HIS/4PDY-HIS_decoys.pdbqt | data/4P/4PDY-HIS/4PDY-HIS_decoy_scores.csv |
4PAH-LNR | data/4P/4PAH-LNR/4PAH-LNR_ligand.pdbqt | data/4P/4PAH-LNR/4PAH-LNR_target.pdbqt | data/4P/4PAH-LNR/4PAH-LNR_decoys.pdbqt | data/4P/4PAH-LNR/4PAH-LNR_decoy_scores.csv |
4PKG-ATP | data/4P/4PKG-ATP/4PKG-ATP_ligand.pdbqt | data/4P/4PKG-ATP/4PKG-ATP_target.pdbqt | data/4P/4PKG-ATP/4PKG-ATP_decoys.pdbqt | data/4P/4PKG-ATP/4PKG-ATP_decoy_scores.csv |
4PD6-DMU | data/4P/4PD6-DMU/4PD6-DMU_ligand.pdbqt | data/4P/4PD6-DMU/4PD6-DMU_target.pdbqt | data/4P/4PD6-DMU/4PD6-DMU_decoys.pdbqt | data/4P/4PD6-DMU/4PD6-DMU_decoy_scores.csv |
4PMC-THP | data/4P/4PMC-THP/4PMC-THP_ligand.pdbqt | data/4P/4PMC-THP/4PMC-THP_target.pdbqt | data/4P/4PMC-THP/4PMC-THP_decoys.pdbqt | data/4P/4PMC-THP/4PMC-THP_decoy_scores.csv |
4PIN-AVI | data/4P/4PIN-AVI/4PIN-AVI_ligand.pdbqt | data/4P/4PIN-AVI/4PIN-AVI_target.pdbqt | data/4P/4PIN-AVI/4PIN-AVI_decoys.pdbqt | data/4P/4PIN-AVI/4PIN-AVI_decoy_scores.csv |
4PUW-2WQ | data/4P/4PUW-2WQ/4PUW-2WQ_ligand.pdbqt | data/4P/4PUW-2WQ/4PUW-2WQ_target.pdbqt | data/4P/4PUW-2WQ/4PUW-2WQ_decoys.pdbqt | data/4P/4PUW-2WQ/4PUW-2WQ_decoy_scores.csv |
4P0V-ZOL | data/4P/4P0V-ZOL/4P0V-ZOL_ligand.pdbqt | data/4P/4P0V-ZOL/4P0V-ZOL_target.pdbqt | data/4P/4P0V-ZOL/4P0V-ZOL_decoys.pdbqt | data/4P/4P0V-ZOL/4P0V-ZOL_decoy_scores.csv |
4PSY-FOL | data/4P/4PSY-FOL/4PSY-FOL_ligand.pdbqt | data/4P/4PSY-FOL/4PSY-FOL_target.pdbqt | data/4P/4PSY-FOL/4PSY-FOL_decoys.pdbqt | data/4P/4PSY-FOL/4PSY-FOL_decoy_scores.csv |
4PCL-SAM | data/4P/4PCL-SAM/4PCL-SAM_ligand.pdbqt | data/4P/4PCL-SAM/4PCL-SAM_target.pdbqt | data/4P/4PCL-SAM/4PCL-SAM_decoys.pdbqt | data/4P/4PCL-SAM/4PCL-SAM_decoy_scores.csv |
4PTH-FOL | data/4P/4PTH-FOL/4PTH-FOL_ligand.pdbqt | data/4P/4PTH-FOL/4PTH-FOL_target.pdbqt | data/4P/4PTH-FOL/4PTH-FOL_decoys.pdbqt | data/4P/4PTH-FOL/4PTH-FOL_decoy_scores.csv |
4PF5-M3N | data/4P/4PF5-M3N/4PF5-M3N_ligand.pdbqt | data/4P/4PF5-M3N/4PF5-M3N_target.pdbqt | data/4P/4PF5-M3N/4PF5-M3N_decoys.pdbqt | data/4P/4PF5-M3N/4PF5-M3N_decoy_scores.csv |
4PUL-2WU | data/4P/4PUL-2WU/4PUL-2WU_ligand.pdbqt | data/4P/4PUL-2WU/4PUL-2WU_target.pdbqt | data/4P/4PUL-2WU/4PUL-2WU_decoys.pdbqt | data/4P/4PUL-2WU/4PUL-2WU_decoy_scores.csv |
4PAI-3HB | data/4P/4PAI-3HB/4PAI-3HB_ligand.pdbqt | data/4P/4PAI-3HB/4PAI-3HB_target.pdbqt | data/4P/4PAI-3HB/4PAI-3HB_decoys.pdbqt | data/4P/4PAI-3HB/4PAI-3HB_decoy_scores.csv |
4PNL-DRL | data/4P/4PNL-DRL/4PNL-DRL_ligand.pdbqt | data/4P/4PNL-DRL/4PNL-DRL_target.pdbqt | data/4P/4PNL-DRL/4PNL-DRL_decoys.pdbqt | data/4P/4PNL-DRL/4PNL-DRL_decoy_scores.csv |
4PJJ-ADP | data/4P/4PJJ-ADP/4PJJ-ADP_ligand.pdbqt | data/4P/4PJJ-ADP/4PJJ-ADP_target.pdbqt | data/4P/4PJJ-ADP/4PJJ-ADP_decoys.pdbqt | data/4P/4PJJ-ADP/4PJJ-ADP_decoy_scores.csv |
4PV5-CBW | data/4P/4PV5-CBW/4PV5-CBW_ligand.pdbqt | data/4P/4PV5-CBW/4PV5-CBW_target.pdbqt | data/4P/4PV5-CBW/4PV5-CBW_decoys.pdbqt | data/4P/4PV5-CBW/4PV5-CBW_decoy_scores.csv |
4PJC-2LJ | data/4P/4PJC-2LJ/4PJC-2LJ_ligand.pdbqt | data/4P/4PJC-2LJ/4PJC-2LJ_target.pdbqt | data/4P/4PJC-2LJ/4PJC-2LJ_decoys.pdbqt | data/4P/4PJC-2LJ/4PJC-2LJ_decoy_scores.csv |
4PZX-2X5 | data/4P/4PZX-2X5/4PZX-2X5_ligand.pdbqt | data/4P/4PZX-2X5/4PZX-2X5_target.pdbqt | data/4P/4PZX-2X5/4PZX-2X5_decoys.pdbqt | data/4P/4PZX-2X5/4PZX-2X5_decoy_scores.csv |
4PL8-ATP | data/4P/4PL8-ATP/4PL8-ATP_ligand.pdbqt | data/4P/4PL8-ATP/4PL8-ATP_target.pdbqt | data/4P/4PL8-ATP/4PL8-ATP_decoys.pdbqt | data/4P/4PL8-ATP/4PL8-ATP_decoy_scores.csv |
4PY2-43E | data/4P/4PY2-43E/4PY2-43E_ligand.pdbqt | data/4P/4PY2-43E/4PY2-43E_target.pdbqt | data/4P/4PY2-43E/4PY2-43E_decoys.pdbqt | data/4P/4PY2-43E/4PY2-43E_decoy_scores.csv |
4PG0-Y39 | data/4P/4PG0-Y39/4PG0-Y39_ligand.pdbqt | data/4P/4PG0-Y39/4PG0-Y39_target.pdbqt | data/4P/4PG0-Y39/4PG0-Y39_decoys.pdbqt | data/4P/4PG0-Y39/4PG0-Y39_decoy_scores.csv |
4PES-2PJ | data/4P/4PES-2PJ/4PES-2PJ_ligand.pdbqt | data/4P/4PES-2PJ/4PES-2PJ_target.pdbqt | data/4P/4PES-2PJ/4PES-2PJ_decoys.pdbqt | data/4P/4PES-2PJ/4PES-2PJ_decoy_scores.csv |
4POP-P33 | data/4P/4POP-P33/4POP-P33_ligand.pdbqt | data/4P/4POP-P33/4POP-P33_target.pdbqt | data/4P/4POP-P33/4POP-P33_decoys.pdbqt | data/4P/4POP-P33/4POP-P33_decoy_scores.csv |
4P56-RMN | data/4P/4P56-RMN/4P56-RMN_ligand.pdbqt | data/4P/4P56-RMN/4P56-RMN_target.pdbqt | data/4P/4P56-RMN/4P56-RMN_decoys.pdbqt | data/4P/4P56-RMN/4P56-RMN_decoy_scores.csv |
4PNT-IQD | data/4P/4PNT-IQD/4PNT-IQD_ligand.pdbqt | data/4P/4PNT-IQD/4PNT-IQD_target.pdbqt | data/4P/4PNT-IQD/4PNT-IQD_decoys.pdbqt | data/4P/4PNT-IQD/4PNT-IQD_decoy_scores.csv |
4P8N-R57 | data/4P/4P8N-R57/4P8N-R57_ligand.pdbqt | data/4P/4P8N-R57/4P8N-R57_target.pdbqt | data/4P/4P8N-R57/4P8N-R57_decoys.pdbqt | data/4P/4P8N-R57/4P8N-R57_decoy_scores.csv |
4P05-4NS | data/4P/4P05-4NS/4P05-4NS_ligand.pdbqt | data/4P/4P05-4NS/4P05-4NS_target.pdbqt | data/4P/4P05-4NS/4P05-4NS_decoys.pdbqt | data/4P/4P05-4NS/4P05-4NS_decoy_scores.csv |
4PJN-ADP | data/4P/4PJN-ADP/4PJN-ADP_ligand.pdbqt | data/4P/4PJN-ADP/4PJN-ADP_target.pdbqt | data/4P/4PJN-ADP/4PJN-ADP_decoys.pdbqt | data/4P/4PJN-ADP/4PJN-ADP_decoy_scores.csv |
4P7E-2HB | data/4P/4P7E-2HB/4P7E-2HB_ligand.pdbqt | data/4P/4P7E-2HB/4P7E-2HB_target.pdbqt | data/4P/4P7E-2HB/4P7E-2HB_decoys.pdbqt | data/4P/4P7E-2HB/4P7E-2HB_decoy_scores.csv |
4PJZ-GCS | data/4P/4PJZ-GCS/4PJZ-GCS_ligand.pdbqt | data/4P/4PJZ-GCS/4PJZ-GCS_target.pdbqt | data/4P/4PJZ-GCS/4PJZ-GCS_decoys.pdbqt | data/4P/4PJZ-GCS/4PJZ-GCS_decoy_scores.csv |
4PMP-31W | data/4P/4PMP-31W/4PMP-31W_ligand.pdbqt | data/4P/4PMP-31W/4PMP-31W_target.pdbqt | data/4P/4PMP-31W/4PMP-31W_decoys.pdbqt | data/4P/4PMP-31W/4PMP-31W_decoy_scores.csv |
4P4L-SKM | data/4P/4P4L-SKM/4P4L-SKM_ligand.pdbqt | data/4P/4P4L-SKM/4P4L-SKM_target.pdbqt | data/4P/4P4L-SKM/4P4L-SKM_decoys.pdbqt | data/4P/4P4L-SKM/4P4L-SKM_decoy_scores.csv |
4PKB-MAY | data/4P/4PKB-MAY/4PKB-MAY_ligand.pdbqt | data/4P/4PKB-MAY/4PKB-MAY_target.pdbqt | data/4P/4PKB-MAY/4PKB-MAY_decoys.pdbqt | data/4P/4PKB-MAY/4PKB-MAY_decoy_scores.csv |
4PD6-URI | data/4P/4PD6-URI/4PD6-URI_ligand.pdbqt | data/4P/4PD6-URI/4PD6-URI_target.pdbqt | data/4P/4PD6-URI/4PD6-URI_decoys.pdbqt | data/4P/4PD6-URI/4PD6-URI_decoy_scores.csv |
4PM9-CE3 | data/4P/4PM9-CE3/4PM9-CE3_ligand.pdbqt | data/4P/4PM9-CE3/4PM9-CE3_target.pdbqt | data/4P/4PM9-CE3/4PM9-CE3_decoys.pdbqt | data/4P/4PM9-CE3/4PM9-CE3_decoy_scores.csv |
4PRR-2W9 | data/4P/4PRR-2W9/4PRR-2W9_ligand.pdbqt | data/4P/4PRR-2W9/4PRR-2W9_target.pdbqt | data/4P/4PRR-2W9/4PRR-2W9_decoys.pdbqt | data/4P/4PRR-2W9/4PRR-2W9_decoy_scores.csv |
4PJX-30W | data/4P/4PJX-30W/4PJX-30W_ligand.pdbqt | data/4P/4PJX-30W/4PJX-30W_target.pdbqt | data/4P/4PJX-30W/4PJX-30W_decoys.pdbqt | data/4P/4PJX-30W/4PJX-30W_decoy_scores.csv |
4PPR-MER | data/4P/4PPR-MER/4PPR-MER_ligand.pdbqt | data/4P/4PPR-MER/4PPR-MER_target.pdbqt | data/4P/4PPR-MER/4PPR-MER_decoys.pdbqt | data/4P/4PPR-MER/4PPR-MER_decoy_scores.csv |
4P87-4NP | data/4P/4P87-4NP/4P87-4NP_ligand.pdbqt | data/4P/4P87-4NP/4P87-4NP_target.pdbqt | data/4P/4P87-4NP/4P87-4NP_decoys.pdbqt | data/4P/4P87-4NP/4P87-4NP_decoy_scores.csv |
4PWI-ROA | data/4P/4PWI-ROA/4PWI-ROA_ligand.pdbqt | data/4P/4PWI-ROA/4PWI-ROA_target.pdbqt | data/4P/4PWI-ROA/4PWI-ROA_decoys.pdbqt | data/4P/4PWI-ROA/4PWI-ROA_decoy_scores.csv |
4PID-2UQ | data/4P/4PID-2UQ/4PID-2UQ_ligand.pdbqt | data/4P/4PID-2UQ/4PID-2UQ_target.pdbqt | data/4P/4PID-2UQ/4PID-2UQ_decoys.pdbqt | data/4P/4PID-2UQ/4PID-2UQ_decoy_scores.csv |
4P36-P15 | data/4P/4P36-P15/4P36-P15_ligand.pdbqt | data/4P/4P36-P15/4P36-P15_target.pdbqt | data/4P/4P36-P15/4P36-P15_decoys.pdbqt | data/4P/4P36-P15/4P36-P15_decoy_scores.csv |
4PDJ-DHF | data/4P/4PDJ-DHF/4PDJ-DHF_ligand.pdbqt | data/4P/4PDJ-DHF/4PDJ-DHF_target.pdbqt | null | null |
4PVV-HO4 | data/4P/4PVV-HO4/4PVV-HO4_ligand.pdbqt | data/4P/4PVV-HO4/4PVV-HO4_target.pdbqt | data/4P/4PVV-HO4/4PVV-HO4_decoys.pdbqt | data/4P/4PVV-HO4/4PVV-HO4_decoy_scores.csv |
4PFD-2R2 | data/4P/4PFD-2R2/4PFD-2R2_ligand.pdbqt | data/4P/4PFD-2R2/4PFD-2R2_target.pdbqt | data/4P/4PFD-2R2/4PFD-2R2_decoys.pdbqt | data/4P/4PFD-2R2/4PFD-2R2_decoy_scores.csv |
4PXM-EST | data/4P/4PXM-EST/4PXM-EST_ligand.pdbqt | data/4P/4PXM-EST/4PXM-EST_target.pdbqt | data/4P/4PXM-EST/4PXM-EST_decoys.pdbqt | data/4P/4PXM-EST/4PXM-EST_decoy_scores.csv |
4PMB-THP | data/4P/4PMB-THP/4PMB-THP_ligand.pdbqt | data/4P/4PMB-THP/4PMB-THP_target.pdbqt | data/4P/4PMB-THP/4PMB-THP_decoys.pdbqt | data/4P/4PMB-THP/4PMB-THP_decoy_scores.csv |
4PJV-2YQ | data/4P/4PJV-2YQ/4PJV-2YQ_ligand.pdbqt | data/4P/4PJV-2YQ/4PJV-2YQ_target.pdbqt | data/4P/4PJV-2YQ/4PJV-2YQ_decoys.pdbqt | data/4P/4PJV-2YQ/4PJV-2YQ_decoy_scores.csv |
4PK0-T55 | data/4P/4PK0-T55/4PK0-T55_ligand.pdbqt | data/4P/4PK0-T55/4PK0-T55_target.pdbqt | data/4P/4PK0-T55/4PK0-T55_decoys.pdbqt | data/4P/4PK0-T55/4PK0-T55_decoy_scores.csv |
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