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 ⌀ |
|---|---|---|---|---|
1DXY-NAD | data/1D/1DXY-NAD/1DXY-NAD_ligand.pdbqt | data/1D/1DXY-NAD/1DXY-NAD_target.pdbqt | data/1D/1DXY-NAD/1DXY-NAD_decoys.pdbqt | data/1D/1DXY-NAD/1DXY-NAD_decoy_scores.csv |
1DRU-NAD | data/1D/1DRU-NAD/1DRU-NAD_ligand.pdbqt | data/1D/1DRU-NAD/1DRU-NAD_target.pdbqt | data/1D/1DRU-NAD/1DRU-NAD_decoys.pdbqt | data/1D/1DRU-NAD/1DRU-NAD_decoy_scores.csv |
1DOT-FUC | data/1D/1DOT-FUC/1DOT-FUC_ligand.pdbqt | data/1D/1DOT-FUC/1DOT-FUC_target.pdbqt | data/1D/1DOT-FUC/1DOT-FUC_decoys.pdbqt | data/1D/1DOT-FUC/1DOT-FUC_decoy_scores.csv |
1DCN-AS1 | data/1D/1DCN-AS1/1DCN-AS1_ligand.pdbqt | data/1D/1DCN-AS1/1DCN-AS1_target.pdbqt | data/1D/1DCN-AS1/1DCN-AS1_decoys.pdbqt | data/1D/1DCN-AS1/1DCN-AS1_decoy_scores.csv |
1DJR-GLA | data/1D/1DJR-GLA/1DJR-GLA_ligand.pdbqt | data/1D/1DJR-GLA/1DJR-GLA_target.pdbqt | data/1D/1DJR-GLA/1DJR-GLA_decoys.pdbqt | data/1D/1DJR-GLA/1DJR-GLA_decoy_scores.csv |
1D4J-MSC | data/1D/1D4J-MSC/1D4J-MSC_ligand.pdbqt | data/1D/1D4J-MSC/1D4J-MSC_target.pdbqt | data/1D/1D4J-MSC/1D4J-MSC_decoys.pdbqt | data/1D/1D4J-MSC/1D4J-MSC_decoy_scores.csv |
1D7E-HC4 | data/1D/1D7E-HC4/1D7E-HC4_ligand.pdbqt | data/1D/1D7E-HC4/1D7E-HC4_target.pdbqt | data/1D/1D7E-HC4/1D7E-HC4_decoys.pdbqt | data/1D/1D7E-HC4/1D7E-HC4_decoy_scores.csv |
1DV3-LDA | data/1D/1DV3-LDA/1DV3-LDA_ligand.pdbqt | data/1D/1DV3-LDA/1DV3-LDA_target.pdbqt | data/1D/1DV3-LDA/1DV3-LDA_decoys.pdbqt | data/1D/1DV3-LDA/1DV3-LDA_decoy_scores.csv |
1DMH-LIO | data/1D/1DMH-LIO/1DMH-LIO_ligand.pdbqt | data/1D/1DMH-LIO/1DMH-LIO_target.pdbqt | data/1D/1DMH-LIO/1DMH-LIO_decoys.pdbqt | data/1D/1DMH-LIO/1DMH-LIO_decoy_scores.csv |
2OYK-9MR | data/2O/2OYK-9MR/2OYK-9MR_ligand.pdbqt | data/2O/2OYK-9MR/2OYK-9MR_target.pdbqt | data/2O/2OYK-9MR/2OYK-9MR_decoys.pdbqt | data/2O/2OYK-9MR/2OYK-9MR_decoy_scores.csv |
2OBJ-VRV | data/2O/2OBJ-VRV/2OBJ-VRV_ligand.pdbqt | data/2O/2OBJ-VRV/2OBJ-VRV_target.pdbqt | data/2O/2OBJ-VRV/2OBJ-VRV_decoys.pdbqt | data/2O/2OBJ-VRV/2OBJ-VRV_decoy_scores.csv |
2OZ7-CA4 | data/2O/2OZ7-CA4/2OZ7-CA4_ligand.pdbqt | data/2O/2OZ7-CA4/2OZ7-CA4_target.pdbqt | data/2O/2OZ7-CA4/2OZ7-CA4_decoys.pdbqt | data/2O/2OZ7-CA4/2OZ7-CA4_decoy_scores.csv |
2OB3-BTB | data/2O/2OB3-BTB/2OB3-BTB_ligand.pdbqt | data/2O/2OB3-BTB/2OB3-BTB_target.pdbqt | data/2O/2OB3-BTB/2OB3-BTB_decoys.pdbqt | data/2O/2OB3-BTB/2OB3-BTB_decoy_scores.csv |
2OHP-6IP | data/2O/2OHP-6IP/2OHP-6IP_ligand.pdbqt | data/2O/2OHP-6IP/2OHP-6IP_target.pdbqt | data/2O/2OHP-6IP/2OHP-6IP_decoys.pdbqt | data/2O/2OHP-6IP/2OHP-6IP_decoy_scores.csv |
2OW0-6MR | data/2O/2OW0-6MR/2OW0-6MR_ligand.pdbqt | data/2O/2OW0-6MR/2OW0-6MR_target.pdbqt | data/2O/2OW0-6MR/2OW0-6MR_decoys.pdbqt | data/2O/2OW0-6MR/2OW0-6MR_decoy_scores.csv |
2OH7-GTP | data/2O/2OH7-GTP/2OH7-GTP_ligand.pdbqt | data/2O/2OH7-GTP/2OH7-GTP_target.pdbqt | data/2O/2OH7-GTP/2OH7-GTP_decoys.pdbqt | data/2O/2OH7-GTP/2OH7-GTP_decoy_scores.csv |
2O07-MTA | data/2O/2O07-MTA/2O07-MTA_ligand.pdbqt | data/2O/2O07-MTA/2O07-MTA_target.pdbqt | data/2O/2O07-MTA/2O07-MTA_decoys.pdbqt | data/2O/2O07-MTA/2O07-MTA_decoy_scores.csv |
2OU5-FMN | data/2O/2OU5-FMN/2OU5-FMN_ligand.pdbqt | data/2O/2OU5-FMN/2OU5-FMN_target.pdbqt | data/2O/2OU5-FMN/2OU5-FMN_decoys.pdbqt | data/2O/2OU5-FMN/2OU5-FMN_decoy_scores.csv |
2OXS-BEN | data/2O/2OXS-BEN/2OXS-BEN_ligand.pdbqt | data/2O/2OXS-BEN/2OXS-BEN_target.pdbqt | data/2O/2OXS-BEN/2OXS-BEN_decoys.pdbqt | data/2O/2OXS-BEN/2OXS-BEN_decoy_scores.csv |
2O4N-TPV | data/2O/2O4N-TPV/2O4N-TPV_ligand.pdbqt | data/2O/2O4N-TPV/2O4N-TPV_target.pdbqt | data/2O/2O4N-TPV/2O4N-TPV_decoys.pdbqt | data/2O/2O4N-TPV/2O4N-TPV_decoy_scores.csv |
2OZ9-TRP | data/2O/2OZ9-TRP/2OZ9-TRP_ligand.pdbqt | data/2O/2OZ9-TRP/2OZ9-TRP_target.pdbqt | data/2O/2OZ9-TRP/2OZ9-TRP_decoys.pdbqt | data/2O/2OZ9-TRP/2OZ9-TRP_decoy_scores.csv |
2ORJ-BM3 | data/2O/2ORJ-BM3/2ORJ-BM3_ligand.pdbqt | data/2O/2ORJ-BM3/2ORJ-BM3_target.pdbqt | data/2O/2ORJ-BM3/2ORJ-BM3_decoys.pdbqt | data/2O/2ORJ-BM3/2ORJ-BM3_decoy_scores.csv |
2OIC-STU | data/2O/2OIC-STU/2OIC-STU_ligand.pdbqt | data/2O/2OIC-STU/2OIC-STU_target.pdbqt | data/2O/2OIC-STU/2OIC-STU_decoys.pdbqt | data/2O/2OIC-STU/2OIC-STU_decoy_scores.csv |
2OD3-0G6 | data/2O/2OD3-0G6/2OD3-0G6_ligand.pdbqt | data/2O/2OD3-0G6/2OD3-0G6_target.pdbqt | data/2O/2OD3-0G6/2OD3-0G6_decoys.pdbqt | data/2O/2OD3-0G6/2OD3-0G6_decoy_scores.csv |
2ORT-342 | data/2O/2ORT-342/2ORT-342_ligand.pdbqt | data/2O/2ORT-342/2ORT-342_target.pdbqt | data/2O/2ORT-342/2ORT-342_decoys.pdbqt | data/2O/2ORT-342/2ORT-342_decoy_scores.csv |
2OF2-547 | data/2O/2OF2-547/2OF2-547_ligand.pdbqt | data/2O/2OF2-547/2OF2-547_target.pdbqt | data/2O/2OF2-547/2OF2-547_decoys.pdbqt | data/2O/2OF2-547/2OF2-547_decoy_scores.csv |
2OB2-SAH | data/2O/2OB2-SAH/2OB2-SAH_ligand.pdbqt | data/2O/2OB2-SAH/2OB2-SAH_target.pdbqt | data/2O/2OB2-SAH/2OB2-SAH_decoys.pdbqt | data/2O/2OB2-SAH/2OB2-SAH_decoy_scores.csv |
2OK1-33A | data/2O/2OK1-33A/2OK1-33A_ligand.pdbqt | data/2O/2OK1-33A/2OK1-33A_target.pdbqt | data/2O/2OK1-33A/2OK1-33A_decoys.pdbqt | data/2O/2OK1-33A/2OK1-33A_decoy_scores.csv |
2O9D-HSH | data/2O/2O9D-HSH/2O9D-HSH_ligand.pdbqt | data/2O/2O9D-HSH/2O9D-HSH_target.pdbqt | data/2O/2O9D-HSH/2O9D-HSH_decoys.pdbqt | data/2O/2O9D-HSH/2O9D-HSH_decoy_scores.csv |
2O64-MYU | data/2O/2O64-MYU/2O64-MYU_ligand.pdbqt | data/2O/2O64-MYU/2O64-MYU_target.pdbqt | data/2O/2O64-MYU/2O64-MYU_decoys.pdbqt | data/2O/2O64-MYU/2O64-MYU_decoy_scores.csv |
2O9C-LBV | data/2O/2O9C-LBV/2O9C-LBV_ligand.pdbqt | data/2O/2O9C-LBV/2O9C-LBV_target.pdbqt | data/2O/2O9C-LBV/2O9C-LBV_decoys.pdbqt | data/2O/2O9C-LBV/2O9C-LBV_decoy_scores.csv |
2O8J-SAH | data/2O/2O8J-SAH/2O8J-SAH_ligand.pdbqt | data/2O/2O8J-SAH/2O8J-SAH_target.pdbqt | data/2O/2O8J-SAH/2O8J-SAH_decoys.pdbqt | data/2O/2O8J-SAH/2O8J-SAH_decoy_scores.csv |
2O8U-BEN | data/2O/2O8U-BEN/2O8U-BEN_ligand.pdbqt | data/2O/2O8U-BEN/2O8U-BEN_target.pdbqt | data/2O/2O8U-BEN/2O8U-BEN_decoys.pdbqt | data/2O/2O8U-BEN/2O8U-BEN_decoy_scores.csv |
2ONE-2PG | data/2O/2ONE-2PG/2ONE-2PG_ligand.pdbqt | data/2O/2ONE-2PG/2ONE-2PG_target.pdbqt | null | null |
2OXY-K17 | data/2O/2OXY-K17/2OXY-K17_ligand.pdbqt | data/2O/2OXY-K17/2OXY-K17_target.pdbqt | data/2O/2OXY-K17/2OXY-K17_decoys.pdbqt | data/2O/2OXY-K17/2OXY-K17_decoy_scores.csv |
2OL4-JPN | data/2O/2OL4-JPN/2OL4-JPN_ligand.pdbqt | data/2O/2OL4-JPN/2OL4-JPN_target.pdbqt | data/2O/2OL4-JPN/2OL4-JPN_decoys.pdbqt | data/2O/2OL4-JPN/2OL4-JPN_decoy_scores.csv |
2O73-2AL | data/2O/2O73-2AL/2O73-2AL_ligand.pdbqt | data/2O/2O73-2AL/2O73-2AL_target.pdbqt | data/2O/2O73-2AL/2O73-2AL_decoys.pdbqt | data/2O/2O73-2AL/2O73-2AL_decoy_scores.csv |
2O7D-DHC | data/2O/2O7D-DHC/2O7D-DHC_ligand.pdbqt | data/2O/2O7D-DHC/2O7D-DHC_target.pdbqt | data/2O/2O7D-DHC/2O7D-DHC_decoys.pdbqt | data/2O/2O7D-DHC/2O7D-DHC_decoy_scores.csv |
2OQ5-BEN | data/2O/2OQ5-BEN/2OQ5-BEN_ligand.pdbqt | data/2O/2OQ5-BEN/2OQ5-BEN_target.pdbqt | data/2O/2OQ5-BEN/2OQ5-BEN_decoys.pdbqt | data/2O/2OQ5-BEN/2OQ5-BEN_decoy_scores.csv |
2OFX-PPS | data/2O/2OFX-PPS/2OFX-PPS_ligand.pdbqt | data/2O/2OFX-PPS/2OFX-PPS_target.pdbqt | data/2O/2OFX-PPS/2OFX-PPS_decoys.pdbqt | data/2O/2OFX-PPS/2OFX-PPS_decoy_scores.csv |
2O1U-ANP | data/2O/2O1U-ANP/2O1U-ANP_ligand.pdbqt | data/2O/2O1U-ANP/2O1U-ANP_target.pdbqt | data/2O/2O1U-ANP/2O1U-ANP_decoys.pdbqt | data/2O/2O1U-ANP/2O1U-ANP_decoy_scores.csv |
2OW1-7MR | data/2O/2OW1-7MR/2OW1-7MR_ligand.pdbqt | data/2O/2OW1-7MR/2OW1-7MR_target.pdbqt | data/2O/2OW1-7MR/2OW1-7MR_decoys.pdbqt | data/2O/2OW1-7MR/2OW1-7MR_decoy_scores.csv |
2OA7-GTX | data/2O/2OA7-GTX/2OA7-GTX_ligand.pdbqt | data/2O/2OA7-GTX/2OA7-GTX_target.pdbqt | data/2O/2OA7-GTX/2OA7-GTX_decoys.pdbqt | data/2O/2OA7-GTX/2OA7-GTX_decoy_scores.csv |
2OHH-FMN | data/2O/2OHH-FMN/2OHH-FMN_ligand.pdbqt | data/2O/2OHH-FMN/2OHH-FMN_target.pdbqt | data/2O/2OHH-FMN/2OHH-FMN_decoys.pdbqt | data/2O/2OHH-FMN/2OHH-FMN_decoy_scores.csv |
2O0X-SKP | data/2O/2O0X-SKP/2O0X-SKP_ligand.pdbqt | data/2O/2O0X-SKP/2O0X-SKP_target.pdbqt | data/2O/2O0X-SKP/2O0X-SKP_decoys.pdbqt | data/2O/2O0X-SKP/2O0X-SKP_decoy_scores.csv |
2OM2-GDP | data/2O/2OM2-GDP/2OM2-GDP_ligand.pdbqt | data/2O/2OM2-GDP/2OM2-GDP_target.pdbqt | data/2O/2OM2-GDP/2OM2-GDP_decoys.pdbqt | data/2O/2OM2-GDP/2OM2-GDP_decoy_scores.csv |
2O2U-738 | data/2O/2O2U-738/2O2U-738_ligand.pdbqt | data/2O/2O2U-738/2O2U-738_target.pdbqt | data/2O/2O2U-738/2O2U-738_decoys.pdbqt | data/2O/2O2U-738/2O2U-738_decoy_scores.csv |
2OI6-UD1 | data/2O/2OI6-UD1/2OI6-UD1_ligand.pdbqt | data/2O/2OI6-UD1/2OI6-UD1_target.pdbqt | data/2O/2OI6-UD1/2OI6-UD1_decoys.pdbqt | data/2O/2OI6-UD1/2OI6-UD1_decoy_scores.csv |
2O8W-PL0 | data/2O/2O8W-PL0/2O8W-PL0_ligand.pdbqt | data/2O/2O8W-PL0/2O8W-PL0_target.pdbqt | data/2O/2O8W-PL0/2O8W-PL0_decoys.pdbqt | data/2O/2O8W-PL0/2O8W-PL0_decoy_scores.csv |
2OHQ-7IP | data/2O/2OHQ-7IP/2OHQ-7IP_ligand.pdbqt | data/2O/2OHQ-7IP/2OHQ-7IP_target.pdbqt | data/2O/2OHQ-7IP/2OHQ-7IP_decoys.pdbqt | data/2O/2OHQ-7IP/2OHQ-7IP_decoy_scores.csv |
2O78-TCA | data/2O/2O78-TCA/2O78-TCA_ligand.pdbqt | data/2O/2O78-TCA/2O78-TCA_target.pdbqt | data/2O/2O78-TCA/2O78-TCA_decoys.pdbqt | data/2O/2O78-TCA/2O78-TCA_decoy_scores.csv |
2ONM-ADP | data/2O/2ONM-ADP/2ONM-ADP_ligand.pdbqt | data/2O/2ONM-ADP/2ONM-ADP_target.pdbqt | data/2O/2ONM-ADP/2ONM-ADP_decoys.pdbqt | data/2O/2ONM-ADP/2ONM-ADP_decoy_scores.csv |
2OA5-PE5 | data/2O/2OA5-PE5/2OA5-PE5_ligand.pdbqt | data/2O/2OA5-PE5/2OA5-PE5_target.pdbqt | data/2O/2OA5-PE5/2OA5-PE5_decoys.pdbqt | data/2O/2OA5-PE5/2OA5-PE5_decoy_scores.csv |
2O7O-DXT | data/2O/2O7O-DXT/2O7O-DXT_ligand.pdbqt | data/2O/2O7O-DXT/2O7O-DXT_target.pdbqt | data/2O/2O7O-DXT/2O7O-DXT_decoys.pdbqt | data/2O/2O7O-DXT/2O7O-DXT_decoy_scores.csv |
2O0E-PEP | data/2O/2O0E-PEP/2O0E-PEP_ligand.pdbqt | data/2O/2O0E-PEP/2O0E-PEP_target.pdbqt | data/2O/2O0E-PEP/2O0E-PEP_decoys.pdbqt | data/2O/2O0E-PEP/2O0E-PEP_decoy_scores.csv |
2O0E-S3P | data/2O/2O0E-S3P/2O0E-S3P_ligand.pdbqt | data/2O/2O0E-S3P/2O0E-S3P_target.pdbqt | data/2O/2O0E-S3P/2O0E-S3P_decoys.pdbqt | data/2O/2O0E-S3P/2O0E-S3P_decoy_scores.csv |
2O3P-QUE | data/2O/2O3P-QUE/2O3P-QUE_ligand.pdbqt | data/2O/2O3P-QUE/2O3P-QUE_target.pdbqt | data/2O/2O3P-QUE/2O3P-QUE_decoys.pdbqt | data/2O/2O3P-QUE/2O3P-QUE_decoy_scores.csv |
2O3Q-CXR | data/2O/2O3Q-CXR/2O3Q-CXR_ligand.pdbqt | data/2O/2O3Q-CXR/2O3Q-CXR_target.pdbqt | data/2O/2O3Q-CXR/2O3Q-CXR_decoys.pdbqt | data/2O/2O3Q-CXR/2O3Q-CXR_decoy_scores.csv |
2OG7-AHB | data/2O/2OG7-AHB/2OG7-AHB_ligand.pdbqt | data/2O/2OG7-AHB/2OG7-AHB_target.pdbqt | data/2O/2OG7-AHB/2OG7-AHB_decoys.pdbqt | data/2O/2OG7-AHB/2OG7-AHB_decoy_scores.csv |
2OYM-MNI | data/2O/2OYM-MNI/2OYM-MNI_ligand.pdbqt | data/2O/2OYM-MNI/2OYM-MNI_target.pdbqt | data/2O/2OYM-MNI/2OYM-MNI_decoys.pdbqt | data/2O/2OYM-MNI/2OYM-MNI_decoy_scores.csv |
2O95-ETE | data/2O/2O95-ETE/2O95-ETE_ligand.pdbqt | data/2O/2O95-ETE/2O95-ETE_target.pdbqt | data/2O/2O95-ETE/2O95-ETE_decoys.pdbqt | data/2O/2O95-ETE/2O95-ETE_decoy_scores.csv |
2OOZ-OX5 | data/2O/2OOZ-OX5/2OOZ-OX5_ligand.pdbqt | data/2O/2OOZ-OX5/2OOZ-OX5_target.pdbqt | data/2O/2OOZ-OX5/2OOZ-OX5_decoys.pdbqt | data/2O/2OOZ-OX5/2OOZ-OX5_decoy_scores.csv |
2O28-16G | data/2O/2O28-16G/2O28-16G_ligand.pdbqt | data/2O/2O28-16G/2O28-16G_target.pdbqt | data/2O/2O28-16G/2O28-16G_decoys.pdbqt | data/2O/2O28-16G/2O28-16G_decoy_scores.csv |
2OKL-BB2 | data/2O/2OKL-BB2/2OKL-BB2_ligand.pdbqt | data/2O/2OKL-BB2/2OKL-BB2_target.pdbqt | data/2O/2OKL-BB2/2OKL-BB2_decoys.pdbqt | data/2O/2OKL-BB2/2OKL-BB2_decoy_scores.csv |
2ORQ-MSR | data/2O/2ORQ-MSR/2ORQ-MSR_ligand.pdbqt | data/2O/2ORQ-MSR/2ORQ-MSR_target.pdbqt | data/2O/2ORQ-MSR/2ORQ-MSR_decoys.pdbqt | data/2O/2ORQ-MSR/2ORQ-MSR_decoy_scores.csv |
2ORK-IPD | data/2O/2ORK-IPD/2ORK-IPD_ligand.pdbqt | data/2O/2ORK-IPD/2ORK-IPD_target.pdbqt | data/2O/2ORK-IPD/2ORK-IPD_decoys.pdbqt | data/2O/2ORK-IPD/2ORK-IPD_decoy_scores.csv |
2OAZ-I96 | data/2O/2OAZ-I96/2OAZ-I96_ligand.pdbqt | data/2O/2OAZ-I96/2OAZ-I96_target.pdbqt | data/2O/2OAZ-I96/2OAZ-I96_decoys.pdbqt | data/2O/2OAZ-I96/2OAZ-I96_decoy_scores.csv |
2OS1-BB2 | data/2O/2OS1-BB2/2OS1-BB2_ligand.pdbqt | data/2O/2OS1-BB2/2OS1-BB2_target.pdbqt | data/2O/2OS1-BB2/2OS1-BB2_decoys.pdbqt | data/2O/2OS1-BB2/2OS1-BB2_decoy_scores.csv |
2OZE-AGS | data/2O/2OZE-AGS/2OZE-AGS_ligand.pdbqt | data/2O/2OZE-AGS/2OZE-AGS_target.pdbqt | data/2O/2OZE-AGS/2OZE-AGS_decoys.pdbqt | data/2O/2OZE-AGS/2OZE-AGS_decoy_scores.csv |
2OPS-HBQ | data/2O/2OPS-HBQ/2OPS-HBQ_ligand.pdbqt | data/2O/2OPS-HBQ/2OPS-HBQ_target.pdbqt | data/2O/2OPS-HBQ/2OPS-HBQ_decoys.pdbqt | data/2O/2OPS-HBQ/2OPS-HBQ_decoy_scores.csv |
2OVY-PFJ | data/2O/2OVY-PFJ/2OVY-PFJ_ligand.pdbqt | data/2O/2OVY-PFJ/2OVY-PFJ_target.pdbqt | data/2O/2OVY-PFJ/2OVY-PFJ_decoys.pdbqt | data/2O/2OVY-PFJ/2OVY-PFJ_decoy_scores.csv |
2OHI-FMN | data/2O/2OHI-FMN/2OHI-FMN_ligand.pdbqt | data/2O/2OHI-FMN/2OHI-FMN_target.pdbqt | data/2O/2OHI-FMN/2OHI-FMN_decoys.pdbqt | data/2O/2OHI-FMN/2OHI-FMN_decoy_scores.csv |
2O4L-TPV | data/2O/2O4L-TPV/2O4L-TPV_ligand.pdbqt | data/2O/2O4L-TPV/2O4L-TPV_target.pdbqt | data/2O/2O4L-TPV/2O4L-TPV_decoys.pdbqt | data/2O/2O4L-TPV/2O4L-TPV_decoy_scores.csv |
2OEM-1AE | data/2O/2OEM-1AE/2OEM-1AE_ligand.pdbqt | data/2O/2OEM-1AE/2OEM-1AE_target.pdbqt | data/2O/2OEM-1AE/2OEM-1AE_decoys.pdbqt | data/2O/2OEM-1AE/2OEM-1AE_decoy_scores.csv |
2OSU-DON | data/2O/2OSU-DON/2OSU-DON_ligand.pdbqt | data/2O/2OSU-DON/2OSU-DON_target.pdbqt | data/2O/2OSU-DON/2OSU-DON_decoys.pdbqt | data/2O/2OSU-DON/2OSU-DON_decoy_scores.csv |
2OXR-GDP | data/2O/2OXR-GDP/2OXR-GDP_ligand.pdbqt | data/2O/2OXR-GDP/2OXR-GDP_target.pdbqt | data/2O/2OXR-GDP/2OXR-GDP_decoys.pdbqt | data/2O/2OXR-GDP/2OXR-GDP_decoy_scores.csv |
2OVD-DAO | data/2O/2OVD-DAO/2OVD-DAO_ligand.pdbqt | data/2O/2OVD-DAO/2OVD-DAO_target.pdbqt | data/2O/2OVD-DAO/2OVD-DAO_decoys.pdbqt | data/2O/2OVD-DAO/2OVD-DAO_decoy_scores.csv |
2OBV-SAM | data/2O/2OBV-SAM/2OBV-SAM_ligand.pdbqt | data/2O/2OBV-SAM/2OBV-SAM_target.pdbqt | data/2O/2OBV-SAM/2OBV-SAM_decoys.pdbqt | data/2O/2OBV-SAM/2OBV-SAM_decoy_scores.csv |
2OYF-IAC | data/2O/2OYF-IAC/2OYF-IAC_ligand.pdbqt | data/2O/2OYF-IAC/2OYF-IAC_target.pdbqt | data/2O/2OYF-IAC/2OYF-IAC_decoys.pdbqt | data/2O/2OYF-IAC/2OYF-IAC_decoy_scores.csv |
2OVZ-5MR | data/2O/2OVZ-5MR/2OVZ-5MR_ligand.pdbqt | data/2O/2OVZ-5MR/2OVZ-5MR_target.pdbqt | data/2O/2OVZ-5MR/2OVZ-5MR_decoys.pdbqt | data/2O/2OVZ-5MR/2OVZ-5MR_decoy_scores.csv |
2OH6-CTP | data/2O/2OH6-CTP/2OH6-CTP_ligand.pdbqt | data/2O/2OH6-CTP/2OH6-CTP_target.pdbqt | data/2O/2OH6-CTP/2OH6-CTP_decoys.pdbqt | data/2O/2OH6-CTP/2OH6-CTP_decoy_scores.csv |
2OHK-1SQ | data/2O/2OHK-1SQ/2OHK-1SQ_ligand.pdbqt | data/2O/2OHK-1SQ/2OHK-1SQ_target.pdbqt | data/2O/2OHK-1SQ/2OHK-1SQ_decoys.pdbqt | data/2O/2OHK-1SQ/2OHK-1SQ_decoy_scores.csv |
2OQL-BTB | data/2O/2OQL-BTB/2OQL-BTB_ligand.pdbqt | data/2O/2OQL-BTB/2OQL-BTB_target.pdbqt | data/2O/2OQL-BTB/2OQL-BTB_decoys.pdbqt | data/2O/2OQL-BTB/2OQL-BTB_decoy_scores.csv |
2O7S-DHK | data/2O/2O7S-DHK/2O7S-DHK_ligand.pdbqt | data/2O/2O7S-DHK/2O7S-DHK_target.pdbqt | data/2O/2O7S-DHK/2O7S-DHK_decoys.pdbqt | data/2O/2O7S-DHK/2O7S-DHK_decoy_scores.csv |
2OAC-GTB | data/2O/2OAC-GTB/2OAC-GTB_ligand.pdbqt | data/2O/2OAC-GTB/2OAC-GTB_target.pdbqt | data/2O/2OAC-GTB/2OAC-GTB_decoys.pdbqt | data/2O/2OAC-GTB/2OAC-GTB_decoy_scores.csv |
2OOS-JPJ | data/2O/2OOS-JPJ/2OOS-JPJ_ligand.pdbqt | data/2O/2OOS-JPJ/2OOS-JPJ_target.pdbqt | data/2O/2OOS-JPJ/2OOS-JPJ_decoys.pdbqt | data/2O/2OOS-JPJ/2OOS-JPJ_decoy_scores.csv |
2O5D-VR1 | data/2O/2O5D-VR1/2O5D-VR1_ligand.pdbqt | data/2O/2O5D-VR1/2O5D-VR1_target.pdbqt | data/2O/2O5D-VR1/2O5D-VR1_decoys.pdbqt | data/2O/2O5D-VR1/2O5D-VR1_decoy_scores.csv |
2OXN-OAN | data/2O/2OXN-OAN/2OXN-OAN_ligand.pdbqt | data/2O/2OXN-OAN/2OXN-OAN_target.pdbqt | data/2O/2OXN-OAN/2OXN-OAN_decoys.pdbqt | data/2O/2OXN-OAN/2OXN-OAN_decoy_scores.csv |
2O05-MTA | data/2O/2O05-MTA/2O05-MTA_ligand.pdbqt | data/2O/2O05-MTA/2O05-MTA_target.pdbqt | data/2O/2O05-MTA/2O05-MTA_decoys.pdbqt | data/2O/2O05-MTA/2O05-MTA_decoy_scores.csv |
2O3Z-AI7 | data/2O/2O3Z-AI7/2O3Z-AI7_ligand.pdbqt | data/2O/2O3Z-AI7/2O3Z-AI7_target.pdbqt | data/2O/2O3Z-AI7/2O3Z-AI7_decoys.pdbqt | data/2O/2O3Z-AI7/2O3Z-AI7_decoy_scores.csv |
2OLR-ATP | data/2O/2OLR-ATP/2OLR-ATP_ligand.pdbqt | data/2O/2OLR-ATP/2OLR-ATP_target.pdbqt | data/2O/2OLR-ATP/2OLR-ATP_decoys.pdbqt | data/2O/2OLR-ATP/2OLR-ATP_decoy_scores.csv |
2O7L-BNG | data/2O/2O7L-BNG/2O7L-BNG_ligand.pdbqt | data/2O/2O7L-BNG/2O7L-BNG_target.pdbqt | data/2O/2O7L-BNG/2O7L-BNG_decoys.pdbqt | data/2O/2O7L-BNG/2O7L-BNG_decoy_scores.csv |
2OP9-WR1 | data/2O/2OP9-WR1/2OP9-WR1_ligand.pdbqt | data/2O/2OP9-WR1/2OP9-WR1_target.pdbqt | data/2O/2OP9-WR1/2OP9-WR1_decoys.pdbqt | data/2O/2OP9-WR1/2OP9-WR1_decoy_scores.csv |
2OFV-242 | data/2O/2OFV-242/2OFV-242_ligand.pdbqt | data/2O/2OFV-242/2OFV-242_target.pdbqt | data/2O/2OFV-242/2OFV-242_decoys.pdbqt | data/2O/2OFV-242/2OFV-242_decoy_scores.csv |
2OAH-QIN | data/2O/2OAH-QIN/2OAH-QIN_ligand.pdbqt | data/2O/2OAH-QIN/2OAH-QIN_target.pdbqt | data/2O/2OAH-QIN/2OAH-QIN_decoys.pdbqt | data/2O/2OAH-QIN/2OAH-QIN_decoy_scores.csv |
2OEG-UPG | data/2O/2OEG-UPG/2OEG-UPG_ligand.pdbqt | data/2O/2OEG-UPG/2OEG-UPG_target.pdbqt | data/2O/2OEG-UPG/2OEG-UPG_decoys.pdbqt | data/2O/2OEG-UPG/2OEG-UPG_decoy_scores.csv |
2OVH-AS0 | data/2O/2OVH-AS0/2OVH-AS0_ligand.pdbqt | data/2O/2OVH-AS0/2OVH-AS0_target.pdbqt | data/2O/2OVH-AS0/2OVH-AS0_decoys.pdbqt | data/2O/2OVH-AS0/2OVH-AS0_decoy_scores.csv |
2OKE-DUP | data/2O/2OKE-DUP/2OKE-DUP_ligand.pdbqt | data/2O/2OKE-DUP/2OKE-DUP_target.pdbqt | data/2O/2OKE-DUP/2OKE-DUP_decoys.pdbqt | data/2O/2OKE-DUP/2OKE-DUP_decoy_scores.csv |
2OX3-PEP | data/2O/2OX3-PEP/2OX3-PEP_ligand.pdbqt | data/2O/2OX3-PEP/2OX3-PEP_target.pdbqt | data/2O/2OX3-PEP/2OX3-PEP_decoys.pdbqt | data/2O/2OX3-PEP/2OX3-PEP_decoy_scores.csv |
2OBM-ADP | data/2O/2OBM-ADP/2OBM-ADP_ligand.pdbqt | data/2O/2OBM-ADP/2OBM-ADP_target.pdbqt | data/2O/2OBM-ADP/2OBM-ADP_decoys.pdbqt | data/2O/2OBM-ADP/2OBM-ADP_decoy_scores.csv |
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