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 ⌀ |
|---|---|---|---|---|
3S91-JQ1 | data/3S/3S91-JQ1/3S91-JQ1_ligand.pdbqt | data/3S/3S91-JQ1/3S91-JQ1_target.pdbqt | data/3S/3S91-JQ1/3S91-JQ1_decoys.pdbqt | data/3S/3S91-JQ1/3S91-JQ1_decoy_scores.csv |
3S0B-FNA | data/3S/3S0B-FNA/3S0B-FNA_ligand.pdbqt | data/3S/3S0B-FNA/3S0B-FNA_target.pdbqt | data/3S/3S0B-FNA/3S0B-FNA_decoys.pdbqt | data/3S/3S0B-FNA/3S0B-FNA_decoy_scores.csv |
3SYS-C8E | data/3S/3SYS-C8E/3SYS-C8E_ligand.pdbqt | data/3S/3SYS-C8E/3SYS-C8E_target.pdbqt | data/3S/3SYS-C8E/3SYS-C8E_decoys.pdbqt | data/3S/3SYS-C8E/3SYS-C8E_decoy_scores.csv |
3SR4-TT8 | data/3S/3SR4-TT8/3SR4-TT8_ligand.pdbqt | data/3S/3SR4-TT8/3SR4-TT8_target.pdbqt | data/3S/3SR4-TT8/3SR4-TT8_decoys.pdbqt | data/3S/3SR4-TT8/3SR4-TT8_decoy_scores.csv |
3SAP-E2I | data/3S/3SAP-E2I/3SAP-E2I_ligand.pdbqt | data/3S/3SAP-E2I/3SAP-E2I_target.pdbqt | data/3S/3SAP-E2I/3SAP-E2I_decoys.pdbqt | data/3S/3SAP-E2I/3SAP-E2I_decoy_scores.csv |
3SCS-GLF | data/3S/3SCS-GLF/3SCS-GLF_ligand.pdbqt | data/3S/3SCS-GLF/3SCS-GLF_target.pdbqt | data/3S/3SCS-GLF/3SCS-GLF_decoys.pdbqt | data/3S/3SCS-GLF/3SCS-GLF_decoy_scores.csv |
3SOQ-FUC | data/3S/3SOQ-FUC/3SOQ-FUC_ligand.pdbqt | data/3S/3SOQ-FUC/3SOQ-FUC_target.pdbqt | data/3S/3SOQ-FUC/3SOQ-FUC_decoys.pdbqt | data/3S/3SOQ-FUC/3SOQ-FUC_decoy_scores.csv |
3S41-S41 | data/3S/3S41-S41/3S41-S41_ligand.pdbqt | data/3S/3S41-S41/3S41-S41_target.pdbqt | data/3S/3S41-S41/3S41-S41_decoys.pdbqt | data/3S/3S41-S41/3S41-S41_decoy_scores.csv |
3SYR-GPK | data/3S/3SYR-GPK/3SYR-GPK_ligand.pdbqt | data/3S/3SYR-GPK/3SYR-GPK_target.pdbqt | data/3S/3SYR-GPK/3SYR-GPK_decoys.pdbqt | data/3S/3SYR-GPK/3SYR-GPK_decoy_scores.csv |
3SW4-18K | data/3S/3SW4-18K/3SW4-18K_ligand.pdbqt | data/3S/3SW4-18K/3SW4-18K_target.pdbqt | data/3S/3SW4-18K/3SW4-18K_decoys.pdbqt | data/3S/3SW4-18K/3SW4-18K_decoy_scores.csv |
3SFX-JAN | data/3S/3SFX-JAN/3SFX-JAN_ligand.pdbqt | data/3S/3SFX-JAN/3SFX-JAN_target.pdbqt | data/3S/3SFX-JAN/3SFX-JAN_decoys.pdbqt | data/3S/3SFX-JAN/3SFX-JAN_decoy_scores.csv |
3STU-DK3 | data/3S/3STU-DK3/3STU-DK3_ligand.pdbqt | data/3S/3STU-DK3/3STU-DK3_target.pdbqt | data/3S/3STU-DK3/3STU-DK3_decoys.pdbqt | data/3S/3STU-DK3/3STU-DK3_decoy_scores.csv |
3S8F-OLC | data/3S/3S8F-OLC/3S8F-OLC_ligand.pdbqt | data/3S/3S8F-OLC/3S8F-OLC_target.pdbqt | data/3S/3S8F-OLC/3S8F-OLC_decoys.pdbqt | data/3S/3S8F-OLC/3S8F-OLC_decoy_scores.csv |
3SRV-S19 | data/3S/3SRV-S19/3SRV-S19_ligand.pdbqt | data/3S/3SRV-S19/3SRV-S19_target.pdbqt | data/3S/3SRV-S19/3SRV-S19_decoys.pdbqt | data/3S/3SRV-S19/3SRV-S19_decoy_scores.csv |
3SH7-BB0 | data/3S/3SH7-BB0/3SH7-BB0_ligand.pdbqt | data/3S/3SH7-BB0/3SH7-BB0_target.pdbqt | data/3S/3SH7-BB0/3SH7-BB0_decoys.pdbqt | data/3S/3SH7-BB0/3SH7-BB0_decoy_scores.csv |
3SZO-H6P | data/3S/3SZO-H6P/3SZO-H6P_ligand.pdbqt | data/3S/3SZO-H6P/3SZO-H6P_target.pdbqt | data/3S/3SZO-H6P/3SZO-H6P_decoys.pdbqt | data/3S/3SZO-H6P/3SZO-H6P_decoy_scores.csv |
3S99-ADE | data/3S/3S99-ADE/3S99-ADE_ligand.pdbqt | data/3S/3S99-ADE/3S99-ADE_target.pdbqt | data/3S/3S99-ADE/3S99-ADE_decoys.pdbqt | data/3S/3S99-ADE/3S99-ADE_decoy_scores.csv |
3SXI-LMT | data/3S/3SXI-LMT/3SXI-LMT_ligand.pdbqt | data/3S/3SXI-LMT/3SXI-LMT_target.pdbqt | data/3S/3SXI-LMT/3SXI-LMT_decoys.pdbqt | data/3S/3SXI-LMT/3SXI-LMT_decoy_scores.csv |
3SOC-GVD | data/3S/3SOC-GVD/3SOC-GVD_ligand.pdbqt | data/3S/3SOC-GVD/3SOC-GVD_target.pdbqt | data/3S/3SOC-GVD/3SOC-GVD_decoys.pdbqt | data/3S/3SOC-GVD/3SOC-GVD_decoy_scores.csv |
3S20-CER | data/3S/3S20-CER/3S20-CER_ligand.pdbqt | data/3S/3S20-CER/3S20-CER_target.pdbqt | data/3S/3S20-CER/3S20-CER_decoys.pdbqt | data/3S/3S20-CER/3S20-CER_decoy_scores.csv |
3SWA-UD1 | data/3S/3SWA-UD1/3SWA-UD1_ligand.pdbqt | data/3S/3SWA-UD1/3SWA-UD1_target.pdbqt | data/3S/3SWA-UD1/3SWA-UD1_decoys.pdbqt | data/3S/3SWA-UD1/3SWA-UD1_decoy_scores.csv |
3S1H-56Z | data/3S/3S1H-56Z/3S1H-56Z_ligand.pdbqt | data/3S/3S1H-56Z/3S1H-56Z_target.pdbqt | data/3S/3S1H-56Z/3S1H-56Z_decoys.pdbqt | data/3S/3S1H-56Z/3S1H-56Z_decoy_scores.csv |
3S7Q-LBV | data/3S/3S7Q-LBV/3S7Q-LBV_ligand.pdbqt | data/3S/3S7Q-LBV/3S7Q-LBV_target.pdbqt | data/3S/3S7Q-LBV/3S7Q-LBV_decoys.pdbqt | data/3S/3S7Q-LBV/3S7Q-LBV_decoy_scores.csv |
3SZV-C8E | data/3S/3SZV-C8E/3SZV-C8E_ligand.pdbqt | data/3S/3SZV-C8E/3SZV-C8E_target.pdbqt | data/3S/3SZV-C8E/3SZV-C8E_decoys.pdbqt | data/3S/3SZV-C8E/3SZV-C8E_decoy_scores.csv |
3SZB-I1E | data/3S/3SZB-I1E/3SZB-I1E_ligand.pdbqt | data/3S/3SZB-I1E/3SZB-I1E_target.pdbqt | data/3S/3SZB-I1E/3SZB-I1E_decoys.pdbqt | data/3S/3SZB-I1E/3SZB-I1E_decoy_scores.csv |
3SGZ-FMN | data/3S/3SGZ-FMN/3SGZ-FMN_ligand.pdbqt | data/3S/3SGZ-FMN/3SGZ-FMN_target.pdbqt | data/3S/3SGZ-FMN/3SGZ-FMN_decoys.pdbqt | data/3S/3SGZ-FMN/3SGZ-FMN_decoy_scores.csv |
3SXC-UDP | data/3S/3SXC-UDP/3SXC-UDP_ligand.pdbqt | data/3S/3SXC-UDP/3SXC-UDP_target.pdbqt | data/3S/3SXC-UDP/3SXC-UDP_decoys.pdbqt | data/3S/3SXC-UDP/3SXC-UDP_decoy_scores.csv |
3SR0-ADP | data/3S/3SR0-ADP/3SR0-ADP_ligand.pdbqt | data/3S/3SR0-ADP/3SR0-ADP_target.pdbqt | data/3S/3SR0-ADP/3SR0-ADP_decoys.pdbqt | data/3S/3SR0-ADP/3SR0-ADP_decoy_scores.csv |
3SPF-B50 | data/3S/3SPF-B50/3SPF-B50_ligand.pdbqt | data/3S/3SPF-B50/3SPF-B50_target.pdbqt | data/3S/3SPF-B50/3SPF-B50_decoys.pdbqt | data/3S/3SPF-B50/3SPF-B50_decoy_scores.csv |
3SAP-BCN | data/3S/3SAP-BCN/3SAP-BCN_ligand.pdbqt | data/3S/3SAP-BCN/3SAP-BCN_target.pdbqt | data/3S/3SAP-BCN/3SAP-BCN_decoys.pdbqt | data/3S/3SAP-BCN/3SAP-BCN_decoy_scores.csv |
3SX8-UDP | data/3S/3SX8-UDP/3SX8-UDP_ligand.pdbqt | data/3S/3SX8-UDP/3SX8-UDP_target.pdbqt | data/3S/3SX8-UDP/3SX8-UDP_decoys.pdbqt | data/3S/3SX8-UDP/3SX8-UDP_decoy_scores.csv |
3SWD-EPZ | data/3S/3SWD-EPZ/3SWD-EPZ_ligand.pdbqt | data/3S/3SWD-EPZ/3SWD-EPZ_target.pdbqt | data/3S/3SWD-EPZ/3SWD-EPZ_decoys.pdbqt | data/3S/3SWD-EPZ/3SWD-EPZ_decoy_scores.csv |
3SFC-S53 | data/3S/3SFC-S53/3SFC-S53_ligand.pdbqt | data/3S/3SFC-S53/3SFC-S53_target.pdbqt | data/3S/3SFC-S53/3SFC-S53_decoys.pdbqt | data/3S/3SFC-S53/3SFC-S53_decoy_scores.csv |
3S1V-F6R | data/3S/3S1V-F6R/3S1V-F6R_ligand.pdbqt | data/3S/3S1V-F6R/3S1V-F6R_target.pdbqt | data/3S/3S1V-F6R/3S1V-F6R_decoys.pdbqt | data/3S/3S1V-F6R/3S1V-F6R_decoy_scores.csv |
3SE5-ANP | data/3S/3SE5-ANP/3SE5-ANP_ligand.pdbqt | data/3S/3SE5-ANP/3SE5-ANP_target.pdbqt | data/3S/3SE5-ANP/3SE5-ANP_decoys.pdbqt | data/3S/3SE5-ANP/3SE5-ANP_decoy_scores.csv |
3SSN-SAH | data/3S/3SSN-SAH/3SSN-SAH_ligand.pdbqt | data/3S/3SSN-SAH/3SSN-SAH_target.pdbqt | data/3S/3SSN-SAH/3SSN-SAH_decoys.pdbqt | data/3S/3SSN-SAH/3SSN-SAH_decoy_scores.csv |
3SK6-THP | data/3S/3SK6-THP/3SK6-THP_ligand.pdbqt | data/3S/3SK6-THP/3SK6-THP_target.pdbqt | data/3S/3SK6-THP/3SK6-THP_decoys.pdbqt | data/3S/3SK6-THP/3SK6-THP_decoy_scores.csv |
3SR5-Q12 | data/3S/3SR5-Q12/3SR5-Q12_ligand.pdbqt | data/3S/3SR5-Q12/3SR5-Q12_target.pdbqt | data/3S/3SR5-Q12/3SR5-Q12_decoys.pdbqt | data/3S/3SR5-Q12/3SR5-Q12_decoy_scores.csv |
3SZF-LMT | data/3S/3SZF-LMT/3SZF-LMT_ligand.pdbqt | data/3S/3SZF-LMT/3SZF-LMT_target.pdbqt | data/3S/3SZF-LMT/3SZF-LMT_decoys.pdbqt | data/3S/3SZF-LMT/3SZF-LMT_decoy_scores.csv |
3SMJ-FDR | data/3S/3SMJ-FDR/3SMJ-FDR_ligand.pdbqt | data/3S/3SMJ-FDR/3SMJ-FDR_target.pdbqt | data/3S/3SMJ-FDR/3SMJ-FDR_decoys.pdbqt | data/3S/3SMJ-FDR/3SMJ-FDR_decoy_scores.csv |
3SBM-P6G | data/3S/3SBM-P6G/3SBM-P6G_ligand.pdbqt | data/3S/3SBM-P6G/3SBM-P6G_target.pdbqt | data/3S/3SBM-P6G/3SBM-P6G_decoys.pdbqt | data/3S/3SBM-P6G/3SBM-P6G_decoy_scores.csv |
3SEA-GNP | data/3S/3SEA-GNP/3SEA-GNP_ligand.pdbqt | data/3S/3SEA-GNP/3SEA-GNP_target.pdbqt | data/3S/3SEA-GNP/3SEA-GNP_decoys.pdbqt | data/3S/3SEA-GNP/3SEA-GNP_decoy_scores.csv |
3SQQ-99Z | data/3S/3SQQ-99Z/3SQQ-99Z_ligand.pdbqt | data/3S/3SQQ-99Z/3SQQ-99Z_target.pdbqt | data/3S/3SQQ-99Z/3SQQ-99Z_decoys.pdbqt | data/3S/3SQQ-99Z/3SQQ-99Z_decoy_scores.csv |
3S2V-3HU | data/3S/3S2V-3HU/3S2V-3HU_ligand.pdbqt | data/3S/3S2V-3HU/3S2V-3HU_target.pdbqt | data/3S/3S2V-3HU/3S2V-3HU_decoys.pdbqt | data/3S/3S2V-3HU/3S2V-3HU_decoy_scores.csv |
3SVQ-JK4 | data/3S/3SVQ-JK4/3SVQ-JK4_ligand.pdbqt | data/3S/3SVQ-JK4/3SVQ-JK4_target.pdbqt | data/3S/3SVQ-JK4/3SVQ-JK4_decoys.pdbqt | data/3S/3SVQ-JK4/3SVQ-JK4_decoy_scores.csv |
3SIE-5BO | data/3S/3SIE-5BO/3SIE-5BO_ligand.pdbqt | data/3S/3SIE-5BO/3SIE-5BO_target.pdbqt | data/3S/3SIE-5BO/3SIE-5BO_decoys.pdbqt | data/3S/3SIE-5BO/3SIE-5BO_decoy_scores.csv |
3SPR-FC7 | data/3S/3SPR-FC7/3SPR-FC7_ligand.pdbqt | data/3S/3SPR-FC7/3SPR-FC7_target.pdbqt | data/3S/3SPR-FC7/3SPR-FC7_decoys.pdbqt | data/3S/3SPR-FC7/3SPR-FC7_decoy_scores.csv |
3SR0-AMP | data/3S/3SR0-AMP/3SR0-AMP_ligand.pdbqt | data/3S/3SR0-AMP/3SR0-AMP_target.pdbqt | data/3S/3SR0-AMP/3SR0-AMP_decoys.pdbqt | data/3S/3SR0-AMP/3SR0-AMP_decoy_scores.csv |
3S2U-UD1 | data/3S/3S2U-UD1/3S2U-UD1_ligand.pdbqt | data/3S/3S2U-UD1/3S2U-UD1_target.pdbqt | data/3S/3S2U-UD1/3S2U-UD1_decoys.pdbqt | data/3S/3S2U-UD1/3S2U-UD1_decoy_scores.csv |
3SMT-SAM | data/3S/3SMT-SAM/3SMT-SAM_ligand.pdbqt | data/3S/3SMT-SAM/3SMT-SAM_target.pdbqt | null | null |
3SLT-C8E | data/3S/3SLT-C8E/3SLT-C8E_ligand.pdbqt | data/3S/3SLT-C8E/3SLT-C8E_target.pdbqt | data/3S/3SLT-C8E/3SLT-C8E_decoys.pdbqt | data/3S/3SLT-C8E/3SLT-C8E_decoy_scores.csv |
3SLH-GPJ | data/3S/3SLH-GPJ/3SLH-GPJ_ligand.pdbqt | data/3S/3SLH-GPJ/3SLH-GPJ_target.pdbqt | data/3S/3SLH-GPJ/3SLH-GPJ_decoys.pdbqt | data/3S/3SLH-GPJ/3SLH-GPJ_decoy_scores.csv |
3S87-DGT | data/3S/3S87-DGT/3S87-DGT_ligand.pdbqt | data/3S/3S87-DGT/3S87-DGT_target.pdbqt | data/3S/3S87-DGT/3S87-DGT_decoys.pdbqt | data/3S/3S87-DGT/3S87-DGT_decoy_scores.csv |
3SVV-VSP | data/3S/3SVV-VSP/3SVV-VSP_ligand.pdbqt | data/3S/3SVV-VSP/3SVV-VSP_target.pdbqt | data/3S/3SVV-VSP/3SVV-VSP_decoys.pdbqt | data/3S/3SVV-VSP/3SVV-VSP_decoy_scores.csv |
3SBI-E90 | data/3S/3SBI-E90/3SBI-E90_ligand.pdbqt | data/3S/3SBI-E90/3SBI-E90_target.pdbqt | data/3S/3SBI-E90/3SBI-E90_decoys.pdbqt | data/3S/3SBI-E90/3SBI-E90_decoy_scores.csv |
3SIZ-BMP | data/3S/3SIZ-BMP/3SIZ-BMP_ligand.pdbqt | data/3S/3SIZ-BMP/3SIZ-BMP_target.pdbqt | data/3S/3SIZ-BMP/3SIZ-BMP_decoys.pdbqt | data/3S/3SIZ-BMP/3SIZ-BMP_decoy_scores.csv |
3SXA-UDP | data/3S/3SXA-UDP/3SXA-UDP_ligand.pdbqt | data/3S/3SXA-UDP/3SXA-UDP_target.pdbqt | data/3S/3SXA-UDP/3SXA-UDP_decoys.pdbqt | data/3S/3SXA-UDP/3SXA-UDP_decoy_scores.csv |
3SJ4-DXC | data/3S/3SJ4-DXC/3SJ4-DXC_ligand.pdbqt | data/3S/3SJ4-DXC/3SJ4-DXC_target.pdbqt | data/3S/3SJ4-DXC/3SJ4-DXC_decoys.pdbqt | data/3S/3SJ4-DXC/3SJ4-DXC_decoy_scores.csv |
3SXS-PP2 | data/3S/3SXS-PP2/3SXS-PP2_ligand.pdbqt | data/3S/3SXS-PP2/3SXS-PP2_target.pdbqt | data/3S/3SXS-PP2/3SXS-PP2_decoys.pdbqt | data/3S/3SXS-PP2/3SXS-PP2_decoy_scores.csv |
3SV2-P05 | data/3S/3SV2-P05/3SV2-P05_ligand.pdbqt | data/3S/3SV2-P05/3SV2-P05_target.pdbqt | data/3S/3SV2-P05/3SV2-P05_decoys.pdbqt | data/3S/3SV2-P05/3SV2-P05_decoy_scores.csv |
3SXD-UDP | data/3S/3SXD-UDP/3SXD-UDP_ligand.pdbqt | data/3S/3SXD-UDP/3SXD-UDP_target.pdbqt | data/3S/3SXD-UDP/3SXD-UDP_decoys.pdbqt | data/3S/3SXD-UDP/3SXD-UDP_decoy_scores.csv |
3SZ9-I3E | data/3S/3SZ9-I3E/3SZ9-I3E_ligand.pdbqt | data/3S/3SZ9-I3E/3SZ9-I3E_target.pdbqt | data/3S/3SZ9-I3E/3SZ9-I3E_decoys.pdbqt | data/3S/3SZ9-I3E/3SZ9-I3E_decoy_scores.csv |
3SN7-540 | data/3S/3SN7-540/3SN7-540_ligand.pdbqt | data/3S/3SN7-540/3SN7-540_target.pdbqt | data/3S/3SN7-540/3SN7-540_decoys.pdbqt | data/3S/3SN7-540/3SN7-540_decoy_scores.csv |
3SZ1-LU2 | data/3S/3SZ1-LU2/3SZ1-LU2_ligand.pdbqt | data/3S/3SZ1-LU2/3SZ1-LU2_target.pdbqt | data/3S/3SZ1-LU2/3SZ1-LU2_decoys.pdbqt | data/3S/3SZ1-LU2/3SZ1-LU2_decoy_scores.csv |
3SLS-ANP | data/3S/3SLS-ANP/3SLS-ANP_ligand.pdbqt | data/3S/3SLS-ANP/3SLS-ANP_target.pdbqt | data/3S/3SLS-ANP/3SLS-ANP_decoys.pdbqt | data/3S/3SLS-ANP/3SLS-ANP_decoy_scores.csv |
3SLH-S3P | data/3S/3SLH-S3P/3SLH-S3P_ligand.pdbqt | data/3S/3SLH-S3P/3SLH-S3P_target.pdbqt | data/3S/3SLH-S3P/3SLH-S3P_decoys.pdbqt | data/3S/3SLH-S3P/3SLH-S3P_decoy_scores.csv |
3S7O-LBV | data/3S/3S7O-LBV/3S7O-LBV_ligand.pdbqt | data/3S/3S7O-LBV/3S7O-LBV_target.pdbqt | data/3S/3S7O-LBV/3S7O-LBV_decoys.pdbqt | data/3S/3S7O-LBV/3S7O-LBV_decoy_scores.csv |
3SWR-SFG | data/3S/3SWR-SFG/3SWR-SFG_ligand.pdbqt | data/3S/3SWR-SFG/3SWR-SFG_target.pdbqt | data/3S/3SWR-SFG/3SWR-SFG_decoys.pdbqt | data/3S/3SWR-SFG/3SWR-SFG_decoy_scores.csv |
3S8X-BCN | data/3S/3S8X-BCN/3S8X-BCN_ligand.pdbqt | data/3S/3S8X-BCN/3S8X-BCN_target.pdbqt | data/3S/3S8X-BCN/3S8X-BCN_decoys.pdbqt | data/3S/3S8X-BCN/3S8X-BCN_decoy_scores.csv |
3S55-NAD | data/3S/3S55-NAD/3S55-NAD_ligand.pdbqt | data/3S/3S55-NAD/3S55-NAD_target.pdbqt | data/3S/3S55-NAD/3S55-NAD_decoys.pdbqt | data/3S/3S55-NAD/3S55-NAD_decoy_scores.csv |
3SJ0-DXC | data/3S/3SJ0-DXC/3SJ0-DXC_ligand.pdbqt | data/3S/3SJ0-DXC/3SJ0-DXC_target.pdbqt | data/3S/3SJ0-DXC/3SJ0-DXC_decoys.pdbqt | data/3S/3SJ0-DXC/3SJ0-DXC_decoy_scores.csv |
3S87-ADP | data/3S/3S87-ADP/3S87-ADP_ligand.pdbqt | data/3S/3S87-ADP/3S87-ADP_target.pdbqt | data/3S/3S87-ADP/3S87-ADP_decoys.pdbqt | data/3S/3S87-ADP/3S87-ADP_decoy_scores.csv |
3SJH-LAR | data/3S/3SJH-LAR/3SJH-LAR_ligand.pdbqt | data/3S/3SJH-LAR/3SJH-LAR_target.pdbqt | data/3S/3SJH-LAR/3SJH-LAR_decoys.pdbqt | data/3S/3SJH-LAR/3SJH-LAR_decoy_scores.csv |
3SXI-DCQ | data/3S/3SXI-DCQ/3SXI-DCQ_ligand.pdbqt | data/3S/3SXI-DCQ/3SXI-DCQ_target.pdbqt | data/3S/3SXI-DCQ/3SXI-DCQ_decoys.pdbqt | data/3S/3SXI-DCQ/3SXI-DCQ_decoy_scores.csv |
3SEC-PFU | data/3S/3SEC-PFU/3SEC-PFU_ligand.pdbqt | data/3S/3SEC-PFU/3SEC-PFU_target.pdbqt | data/3S/3SEC-PFU/3SEC-PFU_decoys.pdbqt | data/3S/3SEC-PFU/3SEC-PFU_decoy_scores.csv |
3SAA-77F | data/3S/3SAA-77F/3SAA-77F_ligand.pdbqt | data/3S/3SAA-77F/3SAA-77F_target.pdbqt | data/3S/3SAA-77F/3SAA-77F_decoys.pdbqt | data/3S/3SAA-77F/3SAA-77F_decoy_scores.csv |
3SCQ-GLF | data/3S/3SCQ-GLF/3SCQ-GLF_ligand.pdbqt | data/3S/3SCQ-GLF/3SCQ-GLF_target.pdbqt | data/3S/3SCQ-GLF/3SCQ-GLF_decoys.pdbqt | data/3S/3SCQ-GLF/3SCQ-GLF_decoy_scores.csv |
3SA0-NRA | data/3S/3SA0-NRA/3SA0-NRA_ligand.pdbqt | data/3S/3SA0-NRA/3SA0-NRA_target.pdbqt | data/3S/3SA0-NRA/3SA0-NRA_decoys.pdbqt | data/3S/3SA0-NRA/3SA0-NRA_decoy_scores.csv |
3S7B-NH5 | data/3S/3S7B-NH5/3S7B-NH5_ligand.pdbqt | data/3S/3S7B-NH5/3S7B-NH5_target.pdbqt | data/3S/3S7B-NH5/3S7B-NH5_decoys.pdbqt | data/3S/3S7B-NH5/3S7B-NH5_decoy_scores.csv |
3SM9-Z99 | data/3S/3SM9-Z99/3SM9-Z99_ligand.pdbqt | data/3S/3SM9-Z99/3SM9-Z99_target.pdbqt | data/3S/3SM9-Z99/3SM9-Z99_decoys.pdbqt | data/3S/3SM9-Z99/3SM9-Z99_decoy_scores.csv |
3S2G-NAD | data/3S/3S2G-NAD/3S2G-NAD_ligand.pdbqt | data/3S/3S2G-NAD/3S2G-NAD_target.pdbqt | data/3S/3S2G-NAD/3S2G-NAD_decoys.pdbqt | data/3S/3S2G-NAD/3S2G-NAD_decoy_scores.csv |
3STW-2TD | data/3S/3STW-2TD/3STW-2TD_ligand.pdbqt | data/3S/3STW-2TD/3STW-2TD_target.pdbqt | data/3S/3STW-2TD/3STW-2TD_decoys.pdbqt | data/3S/3STW-2TD/3STW-2TD_decoy_scores.csv |
3S1U-E4P | data/3S/3S1U-E4P/3S1U-E4P_ligand.pdbqt | data/3S/3S1U-E4P/3S1U-E4P_target.pdbqt | data/3S/3S1U-E4P/3S1U-E4P_decoys.pdbqt | data/3S/3S1U-E4P/3S1U-E4P_decoy_scores.csv |
3SYS-VNL | data/3S/3SYS-VNL/3SYS-VNL_ligand.pdbqt | data/3S/3SYS-VNL/3SYS-VNL_target.pdbqt | data/3S/3SYS-VNL/3SYS-VNL_decoys.pdbqt | data/3S/3SYS-VNL/3SYS-VNL_decoy_scores.csv |
3S9T-E49 | data/3S/3S9T-E49/3S9T-E49_ligand.pdbqt | data/3S/3S9T-E49/3S9T-E49_target.pdbqt | data/3S/3S9T-E49/3S9T-E49_decoys.pdbqt | data/3S/3S9T-E49/3S9T-E49_decoy_scores.csv |
3ST6-RVE | data/3S/3ST6-RVE/3ST6-RVE_ligand.pdbqt | data/3S/3ST6-RVE/3ST6-RVE_target.pdbqt | data/3S/3ST6-RVE/3ST6-RVE_decoys.pdbqt | data/3S/3ST6-RVE/3ST6-RVE_decoy_scores.csv |
3SW6-5FU | data/3S/3SW6-5FU/3SW6-5FU_ligand.pdbqt | data/3S/3SW6-5FU/3SW6-5FU_target.pdbqt | data/3S/3SW6-5FU/3SW6-5FU_decoys.pdbqt | data/3S/3SW6-5FU/3SW6-5FU_decoy_scores.csv |
3SUR-NGT | data/3S/3SUR-NGT/3SUR-NGT_ligand.pdbqt | data/3S/3SUR-NGT/3SUR-NGT_target.pdbqt | data/3S/3SUR-NGT/3SUR-NGT_decoys.pdbqt | data/3S/3SUR-NGT/3SUR-NGT_decoy_scores.csv |
3SA7-55A | data/3S/3SA7-55A/3SA7-55A_ligand.pdbqt | data/3S/3SA7-55A/3SA7-55A_target.pdbqt | data/3S/3SA7-55A/3SA7-55A_decoys.pdbqt | data/3S/3SA7-55A/3SA7-55A_decoy_scores.csv |
3S3Q-C1P | data/3S/3S3Q-C1P/3S3Q-C1P_ligand.pdbqt | data/3S/3S3Q-C1P/3S3Q-C1P_target.pdbqt | data/3S/3S3Q-C1P/3S3Q-C1P_decoys.pdbqt | data/3S/3S3Q-C1P/3S3Q-C1P_decoy_scores.csv |
3SE5-P6G | data/3S/3SE5-P6G/3SE5-P6G_ligand.pdbqt | data/3S/3SE5-P6G/3SE5-P6G_target.pdbqt | data/3S/3SE5-P6G/3SE5-P6G_decoys.pdbqt | data/3S/3SE5-P6G/3SE5-P6G_decoy_scores.csv |
3SM2-478 | data/3S/3SM2-478/3SM2-478_ligand.pdbqt | data/3S/3SM2-478/3SM2-478_target.pdbqt | data/3S/3SM2-478/3SM2-478_decoys.pdbqt | data/3S/3SM2-478/3SM2-478_decoy_scores.csv |
3SI3-B03 | data/3S/3SI3-B03/3SI3-B03_ligand.pdbqt | data/3S/3SI3-B03/3SI3-B03_target.pdbqt | data/3S/3SI3-B03/3SI3-B03_decoys.pdbqt | data/3S/3SI3-B03/3SI3-B03_decoy_scores.csv |
3SP9-IL2 | data/3S/3SP9-IL2/3SP9-IL2_ligand.pdbqt | data/3S/3SP9-IL2/3SP9-IL2_target.pdbqt | data/3S/3SP9-IL2/3SP9-IL2_decoys.pdbqt | data/3S/3SP9-IL2/3SP9-IL2_decoy_scores.csv |
3SB0-I93 | data/3S/3SB0-I93/3SB0-I93_ligand.pdbqt | data/3S/3SB0-I93/3SB0-I93_target.pdbqt | data/3S/3SB0-I93/3SB0-I93_decoys.pdbqt | data/3S/3SB0-I93/3SB0-I93_decoy_scores.csv |
3SH8-CED | data/3S/3SH8-CED/3SH8-CED_ligand.pdbqt | data/3S/3SH8-CED/3SH8-CED_target.pdbqt | data/3S/3SH8-CED/3SH8-CED_decoys.pdbqt | data/3S/3SH8-CED/3SH8-CED_decoy_scores.csv |
3S41-GLC | data/3S/3S41-GLC/3S41-GLC_ligand.pdbqt | data/3S/3S41-GLC/3S41-GLC_target.pdbqt | data/3S/3S41-GLC/3S41-GLC_decoys.pdbqt | data/3S/3S41-GLC/3S41-GLC_decoy_scores.csv |
3S2E-NAD | data/3S/3S2E-NAD/3S2E-NAD_ligand.pdbqt | data/3S/3S2E-NAD/3S2E-NAD_target.pdbqt | data/3S/3S2E-NAD/3S2E-NAD_decoys.pdbqt | data/3S/3S2E-NAD/3S2E-NAD_decoy_scores.csv |
3SQP-3J8 | data/3S/3SQP-3J8/3SQP-3J8_ligand.pdbqt | data/3S/3SQP-3J8/3SQP-3J8_target.pdbqt | data/3S/3SQP-3J8/3SQP-3J8_decoys.pdbqt | data/3S/3SQP-3J8/3SQP-3J8_decoy_scores.csv |
3SZU-H6P | data/3S/3SZU-H6P/3SZU-H6P_ligand.pdbqt | data/3S/3SZU-H6P/3SZU-H6P_target.pdbqt | data/3S/3SZU-H6P/3SZU-H6P_decoys.pdbqt | data/3S/3SZU-H6P/3SZU-H6P_decoy_scores.csv |
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