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 ⌀ |
|---|---|---|---|---|
4MQQ-2B6 | data/4M/4MQQ-2B6/4MQQ-2B6_ligand.pdbqt | data/4M/4MQQ-2B6/4MQQ-2B6_target.pdbqt | data/4M/4MQQ-2B6/4MQQ-2B6_decoys.pdbqt | data/4M/4MQQ-2B6/4MQQ-2B6_decoy_scores.csv |
4M5K-APC | data/4M/4M5K-APC/4M5K-APC_ligand.pdbqt | data/4M/4M5K-APC/4M5K-APC_target.pdbqt | data/4M/4M5K-APC/4M5K-APC_decoys.pdbqt | data/4M/4M5K-APC/4M5K-APC_decoy_scores.csv |
4M53-GCP | data/4M/4M53-GCP/4M53-GCP_ligand.pdbqt | data/4M/4M53-GCP/4M53-GCP_target.pdbqt | data/4M/4M53-GCP/4M53-GCP_decoys.pdbqt | data/4M/4M53-GCP/4M53-GCP_decoy_scores.csv |
4MDN-Y30 | data/4M/4MDN-Y30/4MDN-Y30_ligand.pdbqt | data/4M/4MDN-Y30/4MDN-Y30_target.pdbqt | data/4M/4MDN-Y30/4MDN-Y30_decoys.pdbqt | data/4M/4MDN-Y30/4MDN-Y30_decoy_scores.csv |
4MBH-MA4 | data/4M/4MBH-MA4/4MBH-MA4_ligand.pdbqt | data/4M/4MBH-MA4/4MBH-MA4_target.pdbqt | data/4M/4MBH-MA4/4MBH-MA4_decoys.pdbqt | data/4M/4MBH-MA4/4MBH-MA4_decoy_scores.csv |
4M74-SAH | data/4M/4M74-SAH/4M74-SAH_ligand.pdbqt | data/4M/4M74-SAH/4M74-SAH_target.pdbqt | data/4M/4M74-SAH/4M74-SAH_decoys.pdbqt | data/4M/4M74-SAH/4M74-SAH_decoy_scores.csv |
4MU3-IG2 | data/4M/4MU3-IG2/4MU3-IG2_ligand.pdbqt | data/4M/4MU3-IG2/4MU3-IG2_target.pdbqt | data/4M/4MU3-IG2/4MU3-IG2_decoys.pdbqt | data/4M/4MU3-IG2/4MU3-IG2_decoy_scores.csv |
4MW5-415 | data/4M/4MW5-415/4MW5-415_ligand.pdbqt | data/4M/4MW5-415/4MW5-415_target.pdbqt | null | null |
4MKV-RUB | data/4M/4MKV-RUB/4MKV-RUB_ligand.pdbqt | data/4M/4MKV-RUB/4MKV-RUB_target.pdbqt | data/4M/4MKV-RUB/4MKV-RUB_decoys.pdbqt | data/4M/4MKV-RUB/4MKV-RUB_decoy_scores.csv |
4MOS-GAF | data/4M/4MOS-GAF/4MOS-GAF_ligand.pdbqt | data/4M/4MOS-GAF/4MOS-GAF_target.pdbqt | data/4M/4MOS-GAF/4MOS-GAF_decoys.pdbqt | data/4M/4MOS-GAF/4MOS-GAF_decoy_scores.csv |
4MH0-HR4 | data/4M/4MH0-HR4/4MH0-HR4_ligand.pdbqt | data/4M/4MH0-HR4/4MH0-HR4_target.pdbqt | data/4M/4MH0-HR4/4MH0-HR4_decoys.pdbqt | data/4M/4MH0-HR4/4MH0-HR4_decoy_scores.csv |
4MZV-DMU | data/4M/4MZV-DMU/4MZV-DMU_ligand.pdbqt | data/4M/4MZV-DMU/4MZV-DMU_target.pdbqt | data/4M/4MZV-DMU/4MZV-DMU_decoys.pdbqt | data/4M/4MZV-DMU/4MZV-DMU_decoy_scores.csv |
4MV0-2E6 | data/4M/4MV0-2E6/4MV0-2E6_ligand.pdbqt | data/4M/4MV0-2E6/4MV0-2E6_target.pdbqt | data/4M/4MV0-2E6/4MV0-2E6_decoys.pdbqt | data/4M/4MV0-2E6/4MV0-2E6_decoy_scores.csv |
4M8H-R4M | data/4M/4M8H-R4M/4M8H-R4M_ligand.pdbqt | data/4M/4M8H-R4M/4M8H-R4M_target.pdbqt | data/4M/4M8H-R4M/4M8H-R4M_decoys.pdbqt | data/4M/4M8H-R4M/4M8H-R4M_decoy_scores.csv |
4M87-NAD | data/4M/4M87-NAD/4M87-NAD_ligand.pdbqt | data/4M/4M87-NAD/4M87-NAD_target.pdbqt | data/4M/4M87-NAD/4M87-NAD_decoys.pdbqt | data/4M/4M87-NAD/4M87-NAD_decoy_scores.csv |
4MUR-PE3 | data/4M/4MUR-PE3/4MUR-PE3_ligand.pdbqt | data/4M/4MUR-PE3/4MUR-PE3_target.pdbqt | data/4M/4MUR-PE3/4MUR-PE3_decoys.pdbqt | data/4M/4MUR-PE3/4MUR-PE3_decoy_scores.csv |
4MZC-MPO | data/4M/4MZC-MPO/4MZC-MPO_ligand.pdbqt | data/4M/4MZC-MPO/4MZC-MPO_target.pdbqt | data/4M/4MZC-MPO/4MZC-MPO_decoys.pdbqt | data/4M/4MZC-MPO/4MZC-MPO_decoy_scores.csv |
4MKI-LMT | data/4M/4MKI-LMT/4MKI-LMT_ligand.pdbqt | data/4M/4MKI-LMT/4MKI-LMT_target.pdbqt | data/4M/4MKI-LMT/4MKI-LMT_decoys.pdbqt | data/4M/4MKI-LMT/4MKI-LMT_decoy_scores.csv |
4MUV-PCG | data/4M/4MUV-PCG/4MUV-PCG_ligand.pdbqt | data/4M/4MUV-PCG/4MUV-PCG_target.pdbqt | data/4M/4MUV-PCG/4MUV-PCG_decoys.pdbqt | data/4M/4MUV-PCG/4MUV-PCG_decoy_scores.csv |
4MBF-MA4 | data/4M/4MBF-MA4/4MBF-MA4_ligand.pdbqt | data/4M/4MBF-MA4/4MBF-MA4_target.pdbqt | data/4M/4MBF-MA4/4MBF-MA4_decoys.pdbqt | data/4M/4MBF-MA4/4MBF-MA4_decoy_scores.csv |
4MSH-2D0 | data/4M/4MSH-2D0/4MSH-2D0_ligand.pdbqt | data/4M/4MSH-2D0/4MSH-2D0_target.pdbqt | data/4M/4MSH-2D0/4MSH-2D0_decoys.pdbqt | data/4M/4MSH-2D0/4MSH-2D0_decoy_scores.csv |
4M5I-YH6 | data/4M/4M5I-YH6/4M5I-YH6_ligand.pdbqt | data/4M/4M5I-YH6/4M5I-YH6_target.pdbqt | data/4M/4M5I-YH6/4M5I-YH6_decoys.pdbqt | data/4M/4M5I-YH6/4M5I-YH6_decoy_scores.csv |
4MW2-2E9 | data/4M/4MW2-2E9/4MW2-2E9_ligand.pdbqt | data/4M/4MW2-2E9/4MW2-2E9_target.pdbqt | null | null |
4MBF-2AW | data/4M/4MBF-2AW/4MBF-2AW_ligand.pdbqt | data/4M/4MBF-2AW/4MBF-2AW_target.pdbqt | data/4M/4MBF-2AW/4MBF-2AW_decoys.pdbqt | data/4M/4MBF-2AW/4MBF-2AW_decoy_scores.csv |
4MKT-28T | data/4M/4MKT-28T/4MKT-28T_ligand.pdbqt | data/4M/4MKT-28T/4MKT-28T_target.pdbqt | null | null |
4MBK-SA2 | data/4M/4MBK-SA2/4MBK-SA2_ligand.pdbqt | data/4M/4MBK-SA2/4MBK-SA2_target.pdbqt | data/4M/4MBK-SA2/4MBK-SA2_decoys.pdbqt | data/4M/4MBK-SA2/4MBK-SA2_decoy_scores.csv |
4MN7-SME | data/4M/4MN7-SME/4MN7-SME_ligand.pdbqt | data/4M/4MN7-SME/4MN7-SME_target.pdbqt | data/4M/4MN7-SME/4MN7-SME_decoys.pdbqt | data/4M/4MN7-SME/4MN7-SME_decoy_scores.csv |
4M6Y-HF2 | data/4M/4M6Y-HF2/4M6Y-HF2_ligand.pdbqt | data/4M/4M6Y-HF2/4M6Y-HF2_target.pdbqt | data/4M/4M6Y-HF2/4M6Y-HF2_decoys.pdbqt | data/4M/4M6Y-HF2/4M6Y-HF2_decoy_scores.csv |
4MA4-ADP | data/4M/4MA4-ADP/4MA4-ADP_ligand.pdbqt | data/4M/4MA4-ADP/4MA4-ADP_target.pdbqt | data/4M/4MA4-ADP/4MA4-ADP_decoys.pdbqt | data/4M/4MA4-ADP/4MA4-ADP_decoy_scores.csv |
4M7B-28C | data/4M/4M7B-28C/4M7B-28C_ligand.pdbqt | data/4M/4M7B-28C/4M7B-28C_target.pdbqt | data/4M/4M7B-28C/4M7B-28C_decoys.pdbqt | data/4M/4M7B-28C/4M7B-28C_decoy_scores.csv |
4M5K-YH3 | data/4M/4M5K-YH3/4M5K-YH3_ligand.pdbqt | data/4M/4M5K-YH3/4M5K-YH3_target.pdbqt | data/4M/4M5K-YH3/4M5K-YH3_decoys.pdbqt | data/4M/4M5K-YH3/4M5K-YH3_decoy_scores.csv |
4MNS-2AX | data/4M/4MNS-2AX/4MNS-2AX_ligand.pdbqt | data/4M/4MNS-2AX/4MNS-2AX_target.pdbqt | data/4M/4MNS-2AX/4MNS-2AX_decoys.pdbqt | data/4M/4MNS-2AX/4MNS-2AX_decoy_scores.csv |
4M71-56D | data/4M/4M71-56D/4M71-56D_ligand.pdbqt | data/4M/4M71-56D/4M71-56D_target.pdbqt | data/4M/4M71-56D/4M71-56D_decoys.pdbqt | data/4M/4M71-56D/4M71-56D_decoy_scores.csv |
4M8L-5RP | data/4M/4M8L-5RP/4M8L-5RP_ligand.pdbqt | data/4M/4M8L-5RP/4M8L-5RP_target.pdbqt | data/4M/4M8L-5RP/4M8L-5RP_decoys.pdbqt | data/4M/4M8L-5RP/4M8L-5RP_decoy_scores.csv |
4MD2-SQL | data/4M/4MD2-SQL/4MD2-SQL_ligand.pdbqt | data/4M/4MD2-SQL/4MD2-SQL_target.pdbqt | data/4M/4MD2-SQL/4MD2-SQL_decoys.pdbqt | data/4M/4MD2-SQL/4MD2-SQL_decoy_scores.csv |
4MNY-29O | data/4M/4MNY-29O/4MNY-29O_ligand.pdbqt | data/4M/4MNY-29O/4MNY-29O_target.pdbqt | data/4M/4MNY-29O/4MNY-29O_decoys.pdbqt | data/4M/4MNY-29O/4MNY-29O_decoy_scores.csv |
4M3E-2B3 | data/4M/4M3E-2B3/4M3E-2B3_ligand.pdbqt | data/4M/4M3E-2B3/4M3E-2B3_target.pdbqt | data/4M/4M3E-2B3/4M3E-2B3_decoys.pdbqt | data/4M/4M3E-2B3/4M3E-2B3_decoy_scores.csv |
4MCB-21W | data/4M/4MCB-21W/4MCB-21W_ligand.pdbqt | data/4M/4MCB-21W/4MCB-21W_target.pdbqt | data/4M/4MCB-21W/4MCB-21W_decoys.pdbqt | data/4M/4MCB-21W/4MCB-21W_decoy_scores.csv |
4ME5-THP | data/4M/4ME5-THP/4ME5-THP_ligand.pdbqt | data/4M/4ME5-THP/4ME5-THP_target.pdbqt | data/4M/4ME5-THP/4ME5-THP_decoys.pdbqt | data/4M/4ME5-THP/4ME5-THP_decoy_scores.csv |
4MW1-44F | data/4M/4MW1-44F/4MW1-44F_ligand.pdbqt | data/4M/4MW1-44F/4MW1-44F_target.pdbqt | null | null |
4M1W-GDP | data/4M/4M1W-GDP/4M1W-GDP_ligand.pdbqt | data/4M/4M1W-GDP/4M1W-GDP_target.pdbqt | data/4M/4M1W-GDP/4M1W-GDP_decoys.pdbqt | data/4M/4M1W-GDP/4M1W-GDP_decoy_scores.csv |
4M49-22Y | data/4M/4M49-22Y/4M49-22Y_ligand.pdbqt | data/4M/4M49-22Y/4M49-22Y_target.pdbqt | data/4M/4M49-22Y/4M49-22Y_decoys.pdbqt | data/4M/4M49-22Y/4M49-22Y_decoy_scores.csv |
4MUI-2DQ | data/4M/4MUI-2DQ/4MUI-2DQ_ligand.pdbqt | data/4M/4MUI-2DQ/4MUI-2DQ_target.pdbqt | data/4M/4MUI-2DQ/4MUI-2DQ_decoys.pdbqt | data/4M/4MUI-2DQ/4MUI-2DQ_decoy_scores.csv |
4M81-GLF | data/4M/4M81-GLF/4M81-GLF_ligand.pdbqt | data/4M/4M81-GLF/4M81-GLF_target.pdbqt | data/4M/4M81-GLF/4M81-GLF_decoys.pdbqt | data/4M/4M81-GLF/4M81-GLF_decoy_scores.csv |
4MZN-2G9 | data/4M/4MZN-2G9/4MZN-2G9_ligand.pdbqt | data/4M/4MZN-2G9/4MZN-2G9_target.pdbqt | data/4M/4MZN-2G9/4MZN-2G9_decoys.pdbqt | data/4M/4MZN-2G9/4MZN-2G9_decoy_scores.csv |
4MES-P6G | data/4M/4MES-P6G/4MES-P6G_ligand.pdbqt | data/4M/4MES-P6G/4MES-P6G_target.pdbqt | data/4M/4MES-P6G/4MES-P6G_decoys.pdbqt | data/4M/4MES-P6G/4MES-P6G_decoy_scores.csv |
4MEJ-28Y | data/4M/4MEJ-28Y/4MEJ-28Y_ligand.pdbqt | data/4M/4MEJ-28Y/4MEJ-28Y_target.pdbqt | data/4M/4MEJ-28Y/4MEJ-28Y_decoys.pdbqt | data/4M/4MEJ-28Y/4MEJ-28Y_decoy_scores.csv |
4MWP-2GC | data/4M/4MWP-2GC/4MWP-2GC_ligand.pdbqt | data/4M/4MWP-2GC/4MWP-2GC_target.pdbqt | data/4M/4MWP-2GC/4MWP-2GC_decoys.pdbqt | data/4M/4MWP-2GC/4MWP-2GC_decoy_scores.csv |
4M72-SAH | data/4M/4M72-SAH/4M72-SAH_ligand.pdbqt | data/4M/4M72-SAH/4M72-SAH_target.pdbqt | data/4M/4M72-SAH/4M72-SAH_decoys.pdbqt | data/4M/4M72-SAH/4M72-SAH_decoy_scores.csv |
4MZ7-DTP | data/4M/4MZ7-DTP/4MZ7-DTP_ligand.pdbqt | data/4M/4MZ7-DTP/4MZ7-DTP_target.pdbqt | data/4M/4MZ7-DTP/4MZ7-DTP_decoys.pdbqt | data/4M/4MZ7-DTP/4MZ7-DTP_decoy_scores.csv |
4M5R-MSR | data/4M/4M5R-MSR/4M5R-MSR_ligand.pdbqt | data/4M/4M5R-MSR/4M5R-MSR_target.pdbqt | data/4M/4M5R-MSR/4M5R-MSR_decoys.pdbqt | data/4M/4M5R-MSR/4M5R-MSR_decoy_scores.csv |
4MPD-NAJ | data/4M/4MPD-NAJ/4MPD-NAJ_ligand.pdbqt | data/4M/4MPD-NAJ/4MPD-NAJ_target.pdbqt | data/4M/4MPD-NAJ/4MPD-NAJ_decoys.pdbqt | data/4M/4MPD-NAJ/4MPD-NAJ_decoy_scores.csv |
4MTI-2DX | data/4M/4MTI-2DX/4MTI-2DX_ligand.pdbqt | data/4M/4MTI-2DX/4MTI-2DX_target.pdbqt | data/4M/4MTI-2DX/4MTI-2DX_decoys.pdbqt | data/4M/4MTI-2DX/4MTI-2DX_decoy_scores.csv |
4M5H-APC | data/4M/4M5H-APC/4M5H-APC_ligand.pdbqt | data/4M/4M5H-APC/4M5H-APC_target.pdbqt | data/4M/4M5H-APC/4M5H-APC_decoys.pdbqt | data/4M/4M5H-APC/4M5H-APC_decoy_scores.csv |
4MWD-43E | data/4M/4MWD-43E/4MWD-43E_ligand.pdbqt | data/4M/4MWD-43E/4MWD-43E_target.pdbqt | null | null |
4M1T-21M | data/4M/4M1T-21M/4M1T-21M_ligand.pdbqt | data/4M/4M1T-21M/4M1T-21M_target.pdbqt | data/4M/4M1T-21M/4M1T-21M_decoys.pdbqt | data/4M/4M1T-21M/4M1T-21M_decoy_scores.csv |
4M1S-21K | data/4M/4M1S-21K/4M1S-21K_ligand.pdbqt | data/4M/4M1S-21K/4M1S-21K_target.pdbqt | data/4M/4M1S-21K/4M1S-21K_decoys.pdbqt | data/4M/4M1S-21K/4M1S-21K_decoy_scores.csv |
4M26-ZZU | data/4M/4M26-ZZU/4M26-ZZU_ligand.pdbqt | data/4M/4M26-ZZU/4M26-ZZU_target.pdbqt | data/4M/4M26-ZZU/4M26-ZZU_decoys.pdbqt | data/4M/4M26-ZZU/4M26-ZZU_decoy_scores.csv |
4MQR-2B9 | data/4M/4MQR-2B9/4MQR-2B9_ligand.pdbqt | data/4M/4MQR-2B9/4MQR-2B9_target.pdbqt | data/4M/4MQR-2B9/4MQR-2B9_decoys.pdbqt | data/4M/4MQR-2B9/4MQR-2B9_decoy_scores.csv |
4MNC-173 | data/4M/4MNC-173/4MNC-173_ligand.pdbqt | data/4M/4MNC-173/4MNC-173_target.pdbqt | data/4M/4MNC-173/4MNC-173_decoys.pdbqt | data/4M/4MNC-173/4MNC-173_decoy_scores.csv |
4MP8-NAD | data/4M/4MP8-NAD/4MP8-NAD_ligand.pdbqt | data/4M/4MP8-NAD/4MP8-NAD_target.pdbqt | data/4M/4MP8-NAD/4MP8-NAD_decoys.pdbqt | data/4M/4MP8-NAD/4MP8-NAD_decoy_scores.csv |
4MC2-525 | data/4M/4MC2-525/4MC2-525_ligand.pdbqt | data/4M/4MC2-525/4MC2-525_target.pdbqt | data/4M/4MC2-525/4MC2-525_decoys.pdbqt | data/4M/4MC2-525/4MC2-525_decoy_scores.csv |
4MD1-L2P | data/4M/4MD1-L2P/4MD1-L2P_ligand.pdbqt | data/4M/4MD1-L2P/4MD1-L2P_target.pdbqt | data/4M/4MD1-L2P/4MD1-L2P_decoys.pdbqt | data/4M/4MD1-L2P/4MD1-L2P_decoy_scores.csv |
4M5U-20F | data/4M/4M5U-20F/4M5U-20F_ligand.pdbqt | data/4M/4M5U-20F/4M5U-20F_target.pdbqt | data/4M/4M5U-20F/4M5U-20F_decoys.pdbqt | data/4M/4M5U-20F/4M5U-20F_decoy_scores.csv |
4MO5-ACP | data/4M/4MO5-ACP/4MO5-ACP_ligand.pdbqt | data/4M/4MO5-ACP/4MO5-ACP_target.pdbqt | data/4M/4MO5-ACP/4MO5-ACP_decoys.pdbqt | data/4M/4MO5-ACP/4MO5-ACP_decoy_scores.csv |
4MC6-23K | data/4M/4MC6-23K/4MC6-23K_ligand.pdbqt | data/4M/4MC6-23K/4MC6-23K_target.pdbqt | data/4M/4MC6-23K/4MC6-23K_decoys.pdbqt | data/4M/4MC6-23K/4MC6-23K_decoy_scores.csv |
4MES-BNG | data/4M/4MES-BNG/4MES-BNG_ligand.pdbqt | data/4M/4MES-BNG/4MES-BNG_target.pdbqt | data/4M/4MES-BNG/4MES-BNG_decoys.pdbqt | data/4M/4MES-BNG/4MES-BNG_decoy_scores.csv |
4MCD-22L | data/4M/4MCD-22L/4MCD-22L_ligand.pdbqt | data/4M/4MCD-22L/4MCD-22L_target.pdbqt | data/4M/4MCD-22L/4MCD-22L_decoys.pdbqt | data/4M/4MCD-22L/4MCD-22L_decoy_scores.csv |
4ME6-ADP | data/4M/4ME6-ADP/4ME6-ADP_ligand.pdbqt | data/4M/4ME6-ADP/4ME6-ADP_target.pdbqt | data/4M/4ME6-ADP/4ME6-ADP_decoys.pdbqt | data/4M/4ME6-ADP/4ME6-ADP_decoy_scores.csv |
4MZ1-IMP | data/4M/4MZ1-IMP/4MZ1-IMP_ligand.pdbqt | data/4M/4MZ1-IMP/4MZ1-IMP_target.pdbqt | data/4M/4MZ1-IMP/4MZ1-IMP_decoys.pdbqt | data/4M/4MZ1-IMP/4MZ1-IMP_decoy_scores.csv |
4M8I-GDP | data/4M/4M8I-GDP/4M8I-GDP_ligand.pdbqt | data/4M/4M8I-GDP/4M8I-GDP_target.pdbqt | data/4M/4M8I-GDP/4M8I-GDP_decoys.pdbqt | data/4M/4M8I-GDP/4M8I-GDP_decoy_scores.csv |
4M73-SAH | data/4M/4M73-SAH/4M73-SAH_ligand.pdbqt | data/4M/4M73-SAH/4M73-SAH_target.pdbqt | data/4M/4M73-SAH/4M73-SAH_decoys.pdbqt | data/4M/4M73-SAH/4M73-SAH_decoy_scores.csv |
4M2V-BZ1 | data/4M/4M2V-BZ1/4M2V-BZ1_ligand.pdbqt | data/4M/4M2V-BZ1/4M2V-BZ1_target.pdbqt | data/4M/4M2V-BZ1/4M2V-BZ1_decoys.pdbqt | data/4M/4M2V-BZ1/4M2V-BZ1_decoy_scores.csv |
4M1S-GDP | data/4M/4M1S-GDP/4M1S-GDP_ligand.pdbqt | data/4M/4M1S-GDP/4M1S-GDP_target.pdbqt | data/4M/4M1S-GDP/4M1S-GDP_decoys.pdbqt | data/4M/4M1S-GDP/4M1S-GDP_decoy_scores.csv |
4MUB-OAQ | data/4M/4MUB-OAQ/4MUB-OAQ_ligand.pdbqt | data/4M/4MUB-OAQ/4MUB-OAQ_target.pdbqt | data/4M/4MUB-OAQ/4MUB-OAQ_decoys.pdbqt | data/4M/4MUB-OAQ/4MUB-OAQ_decoy_scores.csv |
4MGC-27M | data/4M/4MGC-27M/4MGC-27M_ligand.pdbqt | data/4M/4MGC-27M/4MGC-27M_target.pdbqt | data/4M/4MGC-27M/4MGC-27M_decoys.pdbqt | data/4M/4MGC-27M/4MGC-27M_decoy_scores.csv |
4MS6-28T | data/4M/4MS6-28T/4MS6-28T_ligand.pdbqt | data/4M/4MS6-28T/4MS6-28T_target.pdbqt | null | null |
4MVF-STU | data/4M/4MVF-STU/4MVF-STU_ligand.pdbqt | data/4M/4MVF-STU/4MVF-STU_target.pdbqt | data/4M/4MVF-STU/4MVF-STU_decoys.pdbqt | data/4M/4MVF-STU/4MVF-STU_decoy_scores.csv |
4M5M-APC | data/4M/4M5M-APC/4M5M-APC_ligand.pdbqt | data/4M/4M5M-APC/4M5M-APC_target.pdbqt | data/4M/4M5M-APC/4M5M-APC_decoys.pdbqt | data/4M/4M5M-APC/4M5M-APC_decoy_scores.csv |
4MRX-CZH | data/4M/4MRX-CZH/4MRX-CZH_ligand.pdbqt | data/4M/4MRX-CZH/4MRX-CZH_target.pdbqt | data/4M/4MRX-CZH/4MRX-CZH_decoys.pdbqt | data/4M/4MRX-CZH/4MRX-CZH_decoy_scores.csv |
4MJU-27S | data/4M/4MJU-27S/4MJU-27S_ligand.pdbqt | data/4M/4MJU-27S/4MJU-27S_target.pdbqt | data/4M/4MJU-27S/4MJU-27S_decoys.pdbqt | data/4M/4MJU-27S/4MJU-27S_decoy_scores.csv |
4MZS-2EV | data/4M/4MZS-2EV/4MZS-2EV_ligand.pdbqt | data/4M/4MZS-2EV/4MZS-2EV_target.pdbqt | data/4M/4MZS-2EV/4MZS-2EV_decoys.pdbqt | data/4M/4MZS-2EV/4MZS-2EV_decoy_scores.csv |
4MO5-AH0 | data/4M/4MO5-AH0/4MO5-AH0_ligand.pdbqt | data/4M/4MO5-AH0/4MO5-AH0_target.pdbqt | data/4M/4MO5-AH0/4MO5-AH0_decoys.pdbqt | data/4M/4MO5-AH0/4MO5-AH0_decoy_scores.csv |
4MOP-12P | data/4M/4MOP-12P/4MOP-12P_ligand.pdbqt | data/4M/4MOP-12P/4MOP-12P_target.pdbqt | data/4M/4MOP-12P/4MOP-12P_decoys.pdbqt | data/4M/4MOP-12P/4MOP-12P_decoy_scores.csv |
4MZW-GDS | data/4M/4MZW-GDS/4MZW-GDS_ligand.pdbqt | data/4M/4MZW-GDS/4MZW-GDS_target.pdbqt | data/4M/4MZW-GDS/4MZW-GDS_decoys.pdbqt | data/4M/4MZW-GDS/4MZW-GDS_decoy_scores.csv |
4MDQ-28W | data/4M/4MDQ-28W/4MDQ-28W_ligand.pdbqt | data/4M/4MDQ-28W/4MDQ-28W_target.pdbqt | data/4M/4MDQ-28W/4MDQ-28W_decoys.pdbqt | data/4M/4MDQ-28W/4MDQ-28W_decoy_scores.csv |
5WSC-G6P | data/5W/5WSC-G6P/5WSC-G6P_ligand.pdbqt | data/5W/5WSC-G6P/5WSC-G6P_target.pdbqt | data/5W/5WSC-G6P/5WSC-G6P_decoys.pdbqt | data/5W/5WSC-G6P/5WSC-G6P_decoy_scores.csv |
5WGQ-EST | data/5W/5WGQ-EST/5WGQ-EST_ligand.pdbqt | data/5W/5WGQ-EST/5WGQ-EST_target.pdbqt | data/5W/5WGQ-EST/5WGQ-EST_decoys.pdbqt | data/5W/5WGQ-EST/5WGQ-EST_decoy_scores.csv |
5W0N-UPU | data/5W/5W0N-UPU/5W0N-UPU_ligand.pdbqt | data/5W/5W0N-UPU/5W0N-UPU_target.pdbqt | data/5W/5W0N-UPU/5W0N-UPU_decoys.pdbqt | data/5W/5W0N-UPU/5W0N-UPU_decoy_scores.csv |
5WXI-TRH | data/5W/5WXI-TRH/5WXI-TRH_ligand.pdbqt | data/5W/5WXI-TRH/5WXI-TRH_target.pdbqt | data/5W/5WXI-TRH/5WXI-TRH_decoys.pdbqt | data/5W/5WXI-TRH/5WXI-TRH_decoy_scores.csv |
5WCZ-NOJ | data/5W/5WCZ-NOJ/5WCZ-NOJ_ligand.pdbqt | data/5W/5WCZ-NOJ/5WCZ-NOJ_target.pdbqt | data/5W/5WCZ-NOJ/5WCZ-NOJ_decoys.pdbqt | data/5W/5WCZ-NOJ/5WCZ-NOJ_decoy_scores.csv |
5WJJ-AQY | data/5W/5WJJ-AQY/5WJJ-AQY_ligand.pdbqt | data/5W/5WJJ-AQY/5WJJ-AQY_target.pdbqt | data/5W/5WJJ-AQY/5WJJ-AQY_decoys.pdbqt | data/5W/5WJJ-AQY/5WJJ-AQY_decoy_scores.csv |
5WDP-GNP | data/5W/5WDP-GNP/5WDP-GNP_ligand.pdbqt | data/5W/5WDP-GNP/5WDP-GNP_target.pdbqt | data/5W/5WDP-GNP/5WDP-GNP_decoys.pdbqt | data/5W/5WDP-GNP/5WDP-GNP_decoy_scores.csv |
5W1A-FLC | data/5W/5W1A-FLC/5W1A-FLC_ligand.pdbqt | data/5W/5W1A-FLC/5W1A-FLC_target.pdbqt | data/5W/5W1A-FLC/5W1A-FLC_decoys.pdbqt | data/5W/5W1A-FLC/5W1A-FLC_decoy_scores.csv |
5WXB-SAH | data/5W/5WXB-SAH/5WXB-SAH_ligand.pdbqt | data/5W/5WXB-SAH/5WXB-SAH_target.pdbqt | data/5W/5WXB-SAH/5WXB-SAH_decoys.pdbqt | data/5W/5WXB-SAH/5WXB-SAH_decoy_scores.csv |
5WQK-7NC | data/5W/5WQK-7NC/5WQK-7NC_ligand.pdbqt | data/5W/5WQK-7NC/5WQK-7NC_target.pdbqt | data/5W/5WQK-7NC/5WQK-7NC_decoys.pdbqt | data/5W/5WQK-7NC/5WQK-7NC_decoy_scores.csv |
5W49-9W1 | data/5W/5W49-9W1/5W49-9W1_ligand.pdbqt | data/5W/5W49-9W1/5W49-9W1_target.pdbqt | data/5W/5W49-9W1/5W49-9W1_decoys.pdbqt | data/5W/5W49-9W1/5W49-9W1_decoy_scores.csv |
5WDY-A6S | data/5W/5WDY-A6S/5WDY-A6S_ligand.pdbqt | data/5W/5WDY-A6S/5WDY-A6S_target.pdbqt | data/5W/5WDY-A6S/5WDY-A6S_decoys.pdbqt | data/5W/5WDY-A6S/5WDY-A6S_decoy_scores.csv |
5WE7-G3K | data/5W/5WE7-G3K/5WE7-G3K_ligand.pdbqt | data/5W/5WE7-G3K/5WE7-G3K_target.pdbqt | data/5W/5WE7-G3K/5WE7-G3K_decoys.pdbqt | data/5W/5WE7-G3K/5WE7-G3K_decoy_scores.csv |
5W3T-IHP | data/5W/5W3T-IHP/5W3T-IHP_ligand.pdbqt | data/5W/5W3T-IHP/5W3T-IHP_target.pdbqt | data/5W/5W3T-IHP/5W3T-IHP_decoys.pdbqt | data/5W/5W3T-IHP/5W3T-IHP_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.