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 ⌀ |
|---|---|---|---|---|
1YIM-CM4 | data/1Y/1YIM-CM4/1YIM-CM4_ligand.pdbqt | data/1Y/1YIM-CM4/1YIM-CM4_target.pdbqt | data/1Y/1YIM-CM4/1YIM-CM4_decoys.pdbqt | data/1Y/1YIM-CM4/1YIM-CM4_decoy_scores.csv |
1Y91-CT9 | data/1Y/1Y91-CT9/1Y91-CT9_ligand.pdbqt | data/1Y/1Y91-CT9/1Y91-CT9_target.pdbqt | data/1Y/1Y91-CT9/1Y91-CT9_decoys.pdbqt | data/1Y/1Y91-CT9/1Y91-CT9_decoy_scores.csv |
1YVF-PH7 | data/1Y/1YVF-PH7/1YVF-PH7_ligand.pdbqt | data/1Y/1YVF-PH7/1YVF-PH7_target.pdbqt | data/1Y/1YVF-PH7/1YVF-PH7_decoys.pdbqt | data/1Y/1YVF-PH7/1YVF-PH7_decoy_scores.csv |
1YKP-DHB | data/1Y/1YKP-DHB/1YKP-DHB_ligand.pdbqt | data/1Y/1YKP-DHB/1YKP-DHB_target.pdbqt | data/1Y/1YKP-DHB/1YKP-DHB_decoys.pdbqt | data/1Y/1YKP-DHB/1YKP-DHB_decoy_scores.csv |
1YBA-NAD | data/1Y/1YBA-NAD/1YBA-NAD_ligand.pdbqt | data/1Y/1YBA-NAD/1YBA-NAD_target.pdbqt | data/1Y/1YBA-NAD/1YBA-NAD_decoys.pdbqt | data/1Y/1YBA-NAD/1YBA-NAD_decoy_scores.csv |
1Y0L-HAN | data/1Y/1Y0L-HAN/1Y0L-HAN_ligand.pdbqt | data/1Y/1Y0L-HAN/1Y0L-HAN_target.pdbqt | data/1Y/1Y0L-HAN/1Y0L-HAN_decoys.pdbqt | data/1Y/1Y0L-HAN/1Y0L-HAN_decoy_scores.csv |
1YHL-RIS | data/1Y/1YHL-RIS/1YHL-RIS_ligand.pdbqt | data/1Y/1YHL-RIS/1YHL-RIS_target.pdbqt | data/1Y/1YHL-RIS/1YHL-RIS_decoys.pdbqt | data/1Y/1YHL-RIS/1YHL-RIS_decoy_scores.csv |
1Y1D-FHI | data/1Y/1Y1D-FHI/1Y1D-FHI_ligand.pdbqt | data/1Y/1Y1D-FHI/1Y1D-FHI_target.pdbqt | data/1Y/1Y1D-FHI/1Y1D-FHI_decoys.pdbqt | data/1Y/1Y1D-FHI/1Y1D-FHI_decoy_scores.csv |
1YRO-GDU | data/1Y/1YRO-GDU/1YRO-GDU_ligand.pdbqt | data/1Y/1YRO-GDU/1YRO-GDU_target.pdbqt | data/1Y/1YRO-GDU/1YRO-GDU_decoys.pdbqt | data/1Y/1YRO-GDU/1YRO-GDU_decoy_scores.csv |
1YOB-FMN | data/1Y/1YOB-FMN/1YOB-FMN_ligand.pdbqt | data/1Y/1YOB-FMN/1YOB-FMN_target.pdbqt | data/1Y/1YOB-FMN/1YOB-FMN_decoys.pdbqt | data/1Y/1YOB-FMN/1YOB-FMN_decoy_scores.csv |
1YFW-4AA | data/1Y/1YFW-4AA/1YFW-4AA_ligand.pdbqt | data/1Y/1YFW-4AA/1YFW-4AA_target.pdbqt | data/1Y/1YFW-4AA/1YFW-4AA_decoys.pdbqt | data/1Y/1YFW-4AA/1YFW-4AA_decoy_scores.csv |
1YDS-IQS | data/1Y/1YDS-IQS/1YDS-IQS_ligand.pdbqt | data/1Y/1YDS-IQS/1YDS-IQS_target.pdbqt | data/1Y/1YDS-IQS/1YDS-IQS_decoys.pdbqt | data/1Y/1YDS-IQS/1YDS-IQS_decoy_scores.csv |
1YUN-ATP | data/1Y/1YUN-ATP/1YUN-ATP_ligand.pdbqt | data/1Y/1YUN-ATP/1YUN-ATP_target.pdbqt | data/1Y/1YUN-ATP/1YUN-ATP_decoys.pdbqt | data/1Y/1YUN-ATP/1YUN-ATP_decoy_scores.csv |
1YR8-GTP | data/1Y/1YR8-GTP/1YR8-GTP_ligand.pdbqt | data/1Y/1YR8-GTP/1YR8-GTP_target.pdbqt | data/1Y/1YR8-GTP/1YR8-GTP_decoys.pdbqt | data/1Y/1YR8-GTP/1YR8-GTP_decoy_scores.csv |
1YIY-PMP | data/1Y/1YIY-PMP/1YIY-PMP_ligand.pdbqt | data/1Y/1YIY-PMP/1YIY-PMP_target.pdbqt | data/1Y/1YIY-PMP/1YIY-PMP_decoys.pdbqt | data/1Y/1YIY-PMP/1YIY-PMP_decoy_scores.csv |
1Y3U-UIQ | data/1Y/1Y3U-UIQ/1Y3U-UIQ_ligand.pdbqt | data/1Y/1Y3U-UIQ/1Y3U-UIQ_target.pdbqt | data/1Y/1Y3U-UIQ/1Y3U-UIQ_decoys.pdbqt | data/1Y/1Y3U-UIQ/1Y3U-UIQ_decoy_scores.csv |
1Y8Y-CT7 | data/1Y/1Y8Y-CT7/1Y8Y-CT7_ligand.pdbqt | data/1Y/1Y8Y-CT7/1Y8Y-CT7_target.pdbqt | data/1Y/1Y8Y-CT7/1Y8Y-CT7_decoys.pdbqt | data/1Y/1Y8Y-CT7/1Y8Y-CT7_decoy_scores.csv |
1YEK-NPO | data/1Y/1YEK-NPO/1YEK-NPO_ligand.pdbqt | data/1Y/1YEK-NPO/1YEK-NPO_target.pdbqt | data/1Y/1YEK-NPO/1YEK-NPO_decoys.pdbqt | data/1Y/1YEK-NPO/1YEK-NPO_decoy_scores.csv |
1YZX-GSF | data/1Y/1YZX-GSF/1YZX-GSF_ligand.pdbqt | data/1Y/1YZX-GSF/1YZX-GSF_target.pdbqt | data/1Y/1YZX-GSF/1YZX-GSF_decoys.pdbqt | data/1Y/1YZX-GSF/1YZX-GSF_decoy_scores.csv |
1YBQ-BDH | data/1Y/1YBQ-BDH/1YBQ-BDH_ligand.pdbqt | data/1Y/1YBQ-BDH/1YBQ-BDH_target.pdbqt | data/1Y/1YBQ-BDH/1YBQ-BDH_decoys.pdbqt | data/1Y/1YBQ-BDH/1YBQ-BDH_decoy_scores.csv |
1YNK-SC5 | data/1Y/1YNK-SC5/1YNK-SC5_ligand.pdbqt | data/1Y/1YNK-SC5/1YNK-SC5_target.pdbqt | data/1Y/1YNK-SC5/1YNK-SC5_decoys.pdbqt | data/1Y/1YNK-SC5/1YNK-SC5_decoy_scores.csv |
1YP9-UIZ | data/1Y/1YP9-UIZ/1YP9-UIZ_ligand.pdbqt | data/1Y/1YP9-UIZ/1YP9-UIZ_target.pdbqt | data/1Y/1YP9-UIZ/1YP9-UIZ_decoys.pdbqt | data/1Y/1YP9-UIZ/1YP9-UIZ_decoy_scores.csv |
1YFX-4AA | data/1Y/1YFX-4AA/1YFX-4AA_ligand.pdbqt | data/1Y/1YFX-4AA/1YFX-4AA_target.pdbqt | data/1Y/1YFX-4AA/1YFX-4AA_decoys.pdbqt | data/1Y/1YFX-4AA/1YFX-4AA_decoy_scores.csv |
1Y63-ADP | data/1Y/1Y63-ADP/1Y63-ADP_ligand.pdbqt | data/1Y/1Y63-ADP/1Y63-ADP_target.pdbqt | data/1Y/1Y63-ADP/1Y63-ADP_decoys.pdbqt | data/1Y/1Y63-ADP/1Y63-ADP_decoy_scores.csv |
1Y8Q-ATP | data/1Y/1Y8Q-ATP/1Y8Q-ATP_ligand.pdbqt | data/1Y/1Y8Q-ATP/1Y8Q-ATP_target.pdbqt | data/1Y/1Y8Q-ATP/1Y8Q-ATP_decoys.pdbqt | data/1Y/1Y8Q-ATP/1Y8Q-ATP_decoy_scores.csv |
1YI3-LY2 | data/1Y/1YI3-LY2/1YI3-LY2_ligand.pdbqt | data/1Y/1YI3-LY2/1YI3-LY2_target.pdbqt | data/1Y/1YI3-LY2/1YI3-LY2_decoys.pdbqt | data/1Y/1YI3-LY2/1YI3-LY2_decoy_scores.csv |
1YNI-SUG | data/1Y/1YNI-SUG/1YNI-SUG_ligand.pdbqt | data/1Y/1YNI-SUG/1YNI-SUG_target.pdbqt | data/1Y/1YNI-SUG/1YNI-SUG_decoys.pdbqt | data/1Y/1YNI-SUG/1YNI-SUG_decoy_scores.csv |
1YLR-FMN | data/1Y/1YLR-FMN/1YLR-FMN_ligand.pdbqt | data/1Y/1YLR-FMN/1YLR-FMN_target.pdbqt | data/1Y/1YLR-FMN/1YLR-FMN_decoys.pdbqt | data/1Y/1YLR-FMN/1YLR-FMN_decoy_scores.csv |
1Y6O-MJI | data/1Y/1Y6O-MJI/1Y6O-MJI_ligand.pdbqt | data/1Y/1Y6O-MJI/1Y6O-MJI_target.pdbqt | data/1Y/1Y6O-MJI/1Y6O-MJI_decoys.pdbqt | data/1Y/1Y6O-MJI/1Y6O-MJI_decoy_scores.csv |
1YEI-PGG | data/1Y/1YEI-PGG/1YEI-PGG_ligand.pdbqt | data/1Y/1YEI-PGG/1YEI-PGG_target.pdbqt | data/1Y/1YEI-PGG/1YEI-PGG_decoys.pdbqt | data/1Y/1YEI-PGG/1YEI-PGG_decoy_scores.csv |
1YW9-A84 | data/1Y/1YW9-A84/1YW9-A84_ligand.pdbqt | data/1Y/1YW9-A84/1YW9-A84_target.pdbqt | data/1Y/1YW9-A84/1YW9-A84_decoys.pdbqt | data/1Y/1YW9-A84/1YW9-A84_decoy_scores.csv |
1YOE-RIB | data/1Y/1YOE-RIB/1YOE-RIB_ligand.pdbqt | data/1Y/1YOE-RIB/1YOE-RIB_target.pdbqt | data/1Y/1YOE-RIB/1YOE-RIB_decoys.pdbqt | data/1Y/1YOE-RIB/1YOE-RIB_decoy_scores.csv |
1YXU-AMP | data/1Y/1YXU-AMP/1YXU-AMP_ligand.pdbqt | data/1Y/1YXU-AMP/1YXU-AMP_target.pdbqt | data/1Y/1YXU-AMP/1YXU-AMP_decoys.pdbqt | data/1Y/1YXU-AMP/1YXU-AMP_decoy_scores.csv |
1Y5N-AGA | data/1Y/1Y5N-AGA/1Y5N-AGA_ligand.pdbqt | data/1Y/1Y5N-AGA/1Y5N-AGA_target.pdbqt | null | null |
1YEC-PNB | data/1Y/1YEC-PNB/1YEC-PNB_ligand.pdbqt | data/1Y/1YEC-PNB/1YEC-PNB_target.pdbqt | data/1Y/1YEC-PNB/1YEC-PNB_decoys.pdbqt | data/1Y/1YEC-PNB/1YEC-PNB_decoy_scores.csv |
1YIN-CM3 | data/1Y/1YIN-CM3/1YIN-CM3_ligand.pdbqt | data/1Y/1YIN-CM3/1YIN-CM3_target.pdbqt | data/1Y/1YIN-CM3/1YIN-CM3_decoys.pdbqt | data/1Y/1YIN-CM3/1YIN-CM3_decoy_scores.csv |
1YZ0-F6P | data/1Y/1YZ0-F6P/1YZ0-F6P_ligand.pdbqt | data/1Y/1YZ0-F6P/1YZ0-F6P_target.pdbqt | data/1Y/1YZ0-F6P/1YZ0-F6P_decoys.pdbqt | data/1Y/1YZ0-F6P/1YZ0-F6P_decoy_scores.csv |
1YC2-NAD | data/1Y/1YC2-NAD/1YC2-NAD_ligand.pdbqt | data/1Y/1YC2-NAD/1YC2-NAD_target.pdbqt | data/1Y/1YC2-NAD/1YC2-NAD_decoys.pdbqt | data/1Y/1YC2-NAD/1YC2-NAD_decoy_scores.csv |
1YVE-HIO | data/1Y/1YVE-HIO/1YVE-HIO_ligand.pdbqt | data/1Y/1YVE-HIO/1YVE-HIO_target.pdbqt | data/1Y/1YVE-HIO/1YVE-HIO_decoys.pdbqt | data/1Y/1YVE-HIO/1YVE-HIO_decoy_scores.csv |
1YFZ-IMP | data/1Y/1YFZ-IMP/1YFZ-IMP_ligand.pdbqt | data/1Y/1YFZ-IMP/1YFZ-IMP_target.pdbqt | data/1Y/1YFZ-IMP/1YFZ-IMP_decoys.pdbqt | data/1Y/1YFZ-IMP/1YFZ-IMP_decoy_scores.csv |
1Y89-PE5 | data/1Y/1Y89-PE5/1Y89-PE5_ligand.pdbqt | data/1Y/1Y89-PE5/1Y89-PE5_target.pdbqt | data/1Y/1Y89-PE5/1Y89-PE5_decoys.pdbqt | data/1Y/1Y89-PE5/1Y89-PE5_decoy_scores.csv |
1YIV-LDA | data/1Y/1YIV-LDA/1YIV-LDA_ligand.pdbqt | data/1Y/1YIV-LDA/1YIV-LDA_target.pdbqt | data/1Y/1YIV-LDA/1YIV-LDA_decoys.pdbqt | data/1Y/1YIV-LDA/1YIV-LDA_decoy_scores.csv |
1YAS-HIS | data/1Y/1YAS-HIS/1YAS-HIS_ligand.pdbqt | data/1Y/1YAS-HIS/1YAS-HIS_target.pdbqt | data/1Y/1YAS-HIS/1YAS-HIS_decoys.pdbqt | data/1Y/1YAS-HIS/1YAS-HIS_decoy_scores.csv |
1YZG-GDP | data/1Y/1YZG-GDP/1YZG-GDP_ligand.pdbqt | data/1Y/1YZG-GDP/1YZG-GDP_target.pdbqt | data/1Y/1YZG-GDP/1YZG-GDP_decoys.pdbqt | data/1Y/1YZG-GDP/1YZG-GDP_decoy_scores.csv |
1YOA-FMN | data/1Y/1YOA-FMN/1YOA-FMN_ligand.pdbqt | data/1Y/1YOA-FMN/1YOA-FMN_target.pdbqt | data/1Y/1YOA-FMN/1YOA-FMN_decoys.pdbqt | data/1Y/1YOA-FMN/1YOA-FMN_decoy_scores.csv |
1YKD-CMP | data/1Y/1YKD-CMP/1YKD-CMP_ligand.pdbqt | data/1Y/1YKD-CMP/1YKD-CMP_target.pdbqt | data/1Y/1YKD-CMP/1YKD-CMP_decoys.pdbqt | data/1Y/1YKD-CMP/1YKD-CMP_decoy_scores.csv |
1Y42-TYR | data/1Y/1Y42-TYR/1Y42-TYR_ligand.pdbqt | data/1Y/1Y42-TYR/1Y42-TYR_target.pdbqt | data/1Y/1Y42-TYR/1Y42-TYR_decoys.pdbqt | data/1Y/1Y42-TYR/1Y42-TYR_decoy_scores.csv |
1Y4Z-AGA | data/1Y/1Y4Z-AGA/1Y4Z-AGA_ligand.pdbqt | data/1Y/1Y4Z-AGA/1Y4Z-AGA_target.pdbqt | null | null |
1YP0-PEF | data/1Y/1YP0-PEF/1YP0-PEF_ligand.pdbqt | data/1Y/1YP0-PEF/1YP0-PEF_target.pdbqt | data/1Y/1YP0-PEF/1YP0-PEF_decoys.pdbqt | data/1Y/1YP0-PEF/1YP0-PEF_decoy_scores.csv |
1YEF-PNC | data/1Y/1YEF-PNC/1YEF-PNC_ligand.pdbqt | data/1Y/1YEF-PNC/1YEF-PNC_target.pdbqt | data/1Y/1YEF-PNC/1YEF-PNC_decoys.pdbqt | data/1Y/1YEF-PNC/1YEF-PNC_decoy_scores.csv |
1YC1-4BC | data/1Y/1YC1-4BC/1YC1-4BC_ligand.pdbqt | data/1Y/1YC1-4BC/1YC1-4BC_target.pdbqt | data/1Y/1YC1-4BC/1YC1-4BC_decoys.pdbqt | data/1Y/1YC1-4BC/1YC1-4BC_decoy_scores.csv |
1YCD-LI5 | data/1Y/1YCD-LI5/1YCD-LI5_ligand.pdbqt | data/1Y/1YCD-LI5/1YCD-LI5_target.pdbqt | data/1Y/1YCD-LI5/1YCD-LI5_decoys.pdbqt | data/1Y/1YCD-LI5/1YCD-LI5_decoy_scores.csv |
1YRA-GDP | data/1Y/1YRA-GDP/1YRA-GDP_ligand.pdbqt | data/1Y/1YRA-GDP/1YRA-GDP_target.pdbqt | data/1Y/1YRA-GDP/1YRA-GDP_decoys.pdbqt | data/1Y/1YRA-GDP/1YRA-GDP_decoy_scores.csv |
1Y57-MPZ | data/1Y/1Y57-MPZ/1Y57-MPZ_ligand.pdbqt | data/1Y/1Y57-MPZ/1Y57-MPZ_target.pdbqt | data/1Y/1Y57-MPZ/1Y57-MPZ_decoys.pdbqt | data/1Y/1Y57-MPZ/1Y57-MPZ_decoy_scores.csv |
1YP4-ADQ | data/1Y/1YP4-ADQ/1YP4-ADQ_ligand.pdbqt | data/1Y/1YP4-ADQ/1YP4-ADQ_target.pdbqt | data/1Y/1YP4-ADQ/1YP4-ADQ_decoys.pdbqt | data/1Y/1YP4-ADQ/1YP4-ADQ_decoy_scores.csv |
1Y2H-6DE | data/1Y/1Y2H-6DE/1Y2H-6DE_ligand.pdbqt | data/1Y/1Y2H-6DE/1Y2H-6DE_target.pdbqt | data/1Y/1Y2H-6DE/1Y2H-6DE_decoys.pdbqt | data/1Y/1Y2H-6DE/1Y2H-6DE_decoy_scores.csv |
1YPK-CCR | data/1Y/1YPK-CCR/1YPK-CCR_ligand.pdbqt | data/1Y/1YPK-CCR/1YPK-CCR_target.pdbqt | data/1Y/1YPK-CCR/1YPK-CCR_decoys.pdbqt | data/1Y/1YPK-CCR/1YPK-CCR_decoy_scores.csv |
1Y7P-RIP | data/1Y/1Y7P-RIP/1Y7P-RIP_ligand.pdbqt | data/1Y/1Y7P-RIP/1Y7P-RIP_target.pdbqt | data/1Y/1Y7P-RIP/1Y7P-RIP_decoys.pdbqt | data/1Y/1Y7P-RIP/1Y7P-RIP_decoy_scores.csv |
1YDD-AZM | data/1Y/1YDD-AZM/1YDD-AZM_ligand.pdbqt | data/1Y/1YDD-AZM/1YDD-AZM_target.pdbqt | data/1Y/1YDD-AZM/1YDD-AZM_decoys.pdbqt | data/1Y/1YDD-AZM/1YDD-AZM_decoy_scores.csv |
1YNH-SUO | data/1Y/1YNH-SUO/1YNH-SUO_ligand.pdbqt | data/1Y/1YNH-SUO/1YNH-SUO_target.pdbqt | data/1Y/1YNH-SUO/1YNH-SUO_decoys.pdbqt | data/1Y/1YNH-SUO/1YNH-SUO_decoy_scores.csv |
1YOL-S03 | data/1Y/1YOL-S03/1YOL-S03_ligand.pdbqt | data/1Y/1YOL-S03/1YOL-S03_target.pdbqt | data/1Y/1YOL-S03/1YOL-S03_decoys.pdbqt | data/1Y/1YOL-S03/1YOL-S03_decoy_scores.csv |
1Y9L-UND | data/1Y/1Y9L-UND/1Y9L-UND_ligand.pdbqt | data/1Y/1Y9L-UND/1Y9L-UND_target.pdbqt | data/1Y/1Y9L-UND/1Y9L-UND_decoys.pdbqt | data/1Y/1Y9L-UND/1Y9L-UND_decoy_scores.csv |
1YVZ-JPC | data/1Y/1YVZ-JPC/1YVZ-JPC_ligand.pdbqt | data/1Y/1YVZ-JPC/1YVZ-JPC_target.pdbqt | data/1Y/1YVZ-JPC/1YVZ-JPC_decoys.pdbqt | data/1Y/1YVZ-JPC/1YVZ-JPC_decoy_scores.csv |
1YBH-P22 | data/1Y/1YBH-P22/1YBH-P22_ligand.pdbqt | data/1Y/1YBH-P22/1YBH-P22_target.pdbqt | data/1Y/1YBH-P22/1YBH-P22_decoys.pdbqt | data/1Y/1YBH-P22/1YBH-P22_decoy_scores.csv |
1YZ3-SKA | data/1Y/1YZ3-SKA/1YZ3-SKA_ligand.pdbqt | data/1Y/1YZ3-SKA/1YZ3-SKA_target.pdbqt | data/1Y/1YZ3-SKA/1YZ3-SKA_decoys.pdbqt | data/1Y/1YZ3-SKA/1YZ3-SKA_decoy_scores.csv |
1YDT-IQB | data/1Y/1YDT-IQB/1YDT-IQB_ligand.pdbqt | data/1Y/1YDT-IQB/1YDT-IQB_target.pdbqt | data/1Y/1YDT-IQB/1YDT-IQB_decoys.pdbqt | data/1Y/1YDT-IQB/1YDT-IQB_decoy_scores.csv |
1YWN-LIF | data/1Y/1YWN-LIF/1YWN-LIF_ligand.pdbqt | data/1Y/1YWN-LIF/1YWN-LIF_target.pdbqt | data/1Y/1YWN-LIF/1YWN-LIF_decoys.pdbqt | data/1Y/1YWN-LIF/1YWN-LIF_decoy_scores.csv |
1YMX-1QL | data/1Y/1YMX-1QL/1YMX-1QL_ligand.pdbqt | data/1Y/1YMX-1QL/1YMX-1QL_target.pdbqt | data/1Y/1YMX-1QL/1YMX-1QL_decoys.pdbqt | data/1Y/1YMX-1QL/1YMX-1QL_decoy_scores.csv |
1YRX-D9G | data/1Y/1YRX-D9G/1YRX-D9G_ligand.pdbqt | data/1Y/1YRX-D9G/1YRX-D9G_target.pdbqt | data/1Y/1YRX-D9G/1YRX-D9G_decoys.pdbqt | data/1Y/1YRX-D9G/1YRX-D9G_decoy_scores.csv |
1YZT-GNP | data/1Y/1YZT-GNP/1YZT-GNP_ligand.pdbqt | data/1Y/1YZT-GNP/1YZT-GNP_target.pdbqt | data/1Y/1YZT-GNP/1YZT-GNP_decoys.pdbqt | data/1Y/1YZT-GNP/1YZT-GNP_decoy_scores.csv |
1Y5B-TL3 | data/1Y/1Y5B-TL3/1Y5B-TL3_ligand.pdbqt | data/1Y/1Y5B-TL3/1Y5B-TL3_target.pdbqt | data/1Y/1Y5B-TL3/1Y5B-TL3_decoys.pdbqt | data/1Y/1Y5B-TL3/1Y5B-TL3_decoy_scores.csv |
1YDR-IQP | data/1Y/1YDR-IQP/1YDR-IQP_ligand.pdbqt | data/1Y/1YDR-IQP/1YDR-IQP_target.pdbqt | data/1Y/1YDR-IQP/1YDR-IQP_decoys.pdbqt | data/1Y/1YDR-IQP/1YDR-IQP_decoy_scores.csv |
1Y5U-TL4 | data/1Y/1Y5U-TL4/1Y5U-TL4_ligand.pdbqt | data/1Y/1Y5U-TL4/1Y5U-TL4_target.pdbqt | data/1Y/1Y5U-TL4/1Y5U-TL4_decoys.pdbqt | data/1Y/1Y5U-TL4/1Y5U-TL4_decoy_scores.csv |
1YHL-DMA | data/1Y/1YHL-DMA/1YHL-DMA_ligand.pdbqt | data/1Y/1YHL-DMA/1YHL-DMA_target.pdbqt | data/1Y/1YHL-DMA/1YHL-DMA_decoys.pdbqt | data/1Y/1YHL-DMA/1YHL-DMA_decoy_scores.csv |
1Y6B-AAX | data/1Y/1Y6B-AAX/1Y6B-AAX_ligand.pdbqt | data/1Y/1Y6B-AAX/1Y6B-AAX_target.pdbqt | data/1Y/1Y6B-AAX/1Y6B-AAX_decoys.pdbqt | data/1Y/1Y6B-AAX/1Y6B-AAX_decoy_scores.csv |
1Y79-TRP | data/1Y/1Y79-TRP/1Y79-TRP_ligand.pdbqt | data/1Y/1Y79-TRP/1Y79-TRP_target.pdbqt | data/1Y/1Y79-TRP/1Y79-TRP_decoys.pdbqt | data/1Y/1Y79-TRP/1Y79-TRP_decoy_scores.csv |
1YHS-STU | data/1Y/1YHS-STU/1YHS-STU_ligand.pdbqt | data/1Y/1YHS-STU/1YHS-STU_target.pdbqt | data/1Y/1YHS-STU/1YHS-STU_decoys.pdbqt | data/1Y/1YHS-STU/1YHS-STU_decoy_scores.csv |
1Y54-FDT | data/1Y/1Y54-FDT/1Y54-FDT_ligand.pdbqt | data/1Y/1Y54-FDT/1Y54-FDT_target.pdbqt | data/1Y/1Y54-FDT/1Y54-FDT_decoys.pdbqt | data/1Y/1Y54-FDT/1Y54-FDT_decoy_scores.csv |
1YXW-GLU | data/1Y/1YXW-GLU/1YXW-GLU_ligand.pdbqt | data/1Y/1YXW-GLU/1YXW-GLU_target.pdbqt | data/1Y/1YXW-GLU/1YXW-GLU_decoys.pdbqt | data/1Y/1YXW-GLU/1YXW-GLU_decoy_scores.csv |
1YRD-CAM | data/1Y/1YRD-CAM/1YRD-CAM_ligand.pdbqt | data/1Y/1YRD-CAM/1YRD-CAM_target.pdbqt | data/1Y/1YRD-CAM/1YRD-CAM_decoys.pdbqt | data/1Y/1YRD-CAM/1YRD-CAM_decoy_scores.csv |
1Y8J-STS | data/1Y/1Y8J-STS/1Y8J-STS_ligand.pdbqt | data/1Y/1Y8J-STS/1Y8J-STS_target.pdbqt | data/1Y/1Y8J-STS/1Y8J-STS_decoys.pdbqt | data/1Y/1Y8J-STS/1Y8J-STS_decoy_scores.csv |
1Y59-TL1 | data/1Y/1Y59-TL1/1Y59-TL1_ligand.pdbqt | data/1Y/1Y59-TL1/1Y59-TL1_target.pdbqt | data/1Y/1Y59-TL1/1Y59-TL1_decoys.pdbqt | data/1Y/1Y59-TL1/1Y59-TL1_decoy_scores.csv |
1Y2E-5DE | data/1Y/1Y2E-5DE/1Y2E-5DE_ligand.pdbqt | data/1Y/1Y2E-5DE/1Y2E-5DE_target.pdbqt | data/1Y/1Y2E-5DE/1Y2E-5DE_decoys.pdbqt | data/1Y/1Y2E-5DE/1Y2E-5DE_decoy_scores.csv |
1YXT-ANP | data/1Y/1YXT-ANP/1YXT-ANP_ligand.pdbqt | data/1Y/1YXT-ANP/1YXT-ANP_target.pdbqt | data/1Y/1YXT-ANP/1YXT-ANP_decoys.pdbqt | data/1Y/1YXT-ANP/1YXT-ANP_decoy_scores.csv |
1YHM-AHD | data/1Y/1YHM-AHD/1YHM-AHD_ligand.pdbqt | data/1Y/1YHM-AHD/1YHM-AHD_target.pdbqt | data/1Y/1YHM-AHD/1YHM-AHD_decoys.pdbqt | data/1Y/1YHM-AHD/1YHM-AHD_decoy_scores.csv |
1YXW-TRP | data/1Y/1YXW-TRP/1YXW-TRP_ligand.pdbqt | data/1Y/1YXW-TRP/1YXW-TRP_target.pdbqt | data/1Y/1YXW-TRP/1YXW-TRP_decoys.pdbqt | data/1Y/1YXW-TRP/1YXW-TRP_decoy_scores.csv |
1YE6-NAD | data/1Y/1YE6-NAD/1YE6-NAD_ligand.pdbqt | data/1Y/1YE6-NAD/1YE6-NAD_target.pdbqt | data/1Y/1YE6-NAD/1YE6-NAD_decoys.pdbqt | data/1Y/1YE6-NAD/1YE6-NAD_decoy_scores.csv |
1YPL-RA8 | data/1Y/1YPL-RA8/1YPL-RA8_ligand.pdbqt | data/1Y/1YPL-RA8/1YPL-RA8_target.pdbqt | data/1Y/1YPL-RA8/1YPL-RA8_decoys.pdbqt | data/1Y/1YPL-RA8/1YPL-RA8_decoy_scores.csv |
1Y3W-UIP | data/1Y/1Y3W-UIP/1Y3W-UIP_ligand.pdbqt | data/1Y/1Y3W-UIP/1Y3W-UIP_target.pdbqt | data/1Y/1Y3W-UIP/1Y3W-UIP_decoys.pdbqt | data/1Y/1Y3W-UIP/1Y3W-UIP_decoy_scores.csv |
1YL7-NAI | data/1Y/1YL7-NAI/1YL7-NAI_ligand.pdbqt | data/1Y/1YL7-NAI/1YL7-NAI_target.pdbqt | data/1Y/1YL7-NAI/1YL7-NAI_decoys.pdbqt | data/1Y/1YL7-NAI/1YL7-NAI_decoy_scores.csv |
1YU9-GNP | data/1Y/1YU9-GNP/1YU9-GNP_ligand.pdbqt | data/1Y/1YU9-GNP/1YU9-GNP_target.pdbqt | data/1Y/1YU9-GNP/1YU9-GNP_decoys.pdbqt | data/1Y/1YU9-GNP/1YU9-GNP_decoy_scores.csv |
1YZK-GNP | data/1Y/1YZK-GNP/1YZK-GNP_ligand.pdbqt | data/1Y/1YZK-GNP/1YZK-GNP_target.pdbqt | data/1Y/1YZK-GNP/1YZK-GNP_decoys.pdbqt | data/1Y/1YZK-GNP/1YZK-GNP_decoy_scores.csv |
1Y3X-UIB | data/1Y/1Y3X-UIB/1Y3X-UIB_ligand.pdbqt | data/1Y/1Y3X-UIB/1Y3X-UIB_target.pdbqt | data/1Y/1Y3X-UIB/1Y3X-UIB_decoys.pdbqt | data/1Y/1Y3X-UIB/1Y3X-UIB_decoy_scores.csv |
1YUM-NCN | data/1Y/1YUM-NCN/1YUM-NCN_ligand.pdbqt | data/1Y/1YUM-NCN/1YUM-NCN_target.pdbqt | data/1Y/1YUM-NCN/1YUM-NCN_decoys.pdbqt | data/1Y/1YUM-NCN/1YUM-NCN_decoy_scores.csv |
1YNL-NES | data/1Y/1YNL-NES/1YNL-NES_ligand.pdbqt | data/1Y/1YNL-NES/1YNL-NES_target.pdbqt | data/1Y/1YNL-NES/1YNL-NES_decoys.pdbqt | data/1Y/1YNL-NES/1YNL-NES_decoy_scores.csv |
1YQY-915 | data/1Y/1YQY-915/1YQY-915_ligand.pdbqt | data/1Y/1YQY-915/1YQY-915_target.pdbqt | data/1Y/1YQY-915/1YQY-915_decoys.pdbqt | data/1Y/1YQY-915/1YQY-915_decoy_scores.csv |
1Y6A-AAZ | data/1Y/1Y6A-AAZ/1Y6A-AAZ_ligand.pdbqt | data/1Y/1Y6A-AAZ/1Y6A-AAZ_target.pdbqt | data/1Y/1Y6A-AAZ/1Y6A-AAZ_decoys.pdbqt | data/1Y/1Y6A-AAZ/1Y6A-AAZ_decoy_scores.csv |
1YKN-DHB | data/1Y/1YKN-DHB/1YKN-DHB_ligand.pdbqt | data/1Y/1YKN-DHB/1YKN-DHB_target.pdbqt | data/1Y/1YKN-DHB/1YKN-DHB_decoys.pdbqt | data/1Y/1YKN-DHB/1YKN-DHB_decoy_scores.csv |
1Y1P-AMP | data/1Y/1Y1P-AMP/1Y1P-AMP_ligand.pdbqt | data/1Y/1Y1P-AMP/1Y1P-AMP_target.pdbqt | data/1Y/1Y1P-AMP/1Y1P-AMP_decoys.pdbqt | data/1Y/1Y1P-AMP/1Y1P-AMP_decoy_scores.csv |
1YZ3-SAH | data/1Y/1YZ3-SAH/1YZ3-SAH_ligand.pdbqt | data/1Y/1YZ3-SAH/1YZ3-SAH_target.pdbqt | data/1Y/1YZ3-SAH/1YZ3-SAH_decoys.pdbqt | data/1Y/1YZ3-SAH/1YZ3-SAH_decoy_scores.csv |
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