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 ⌀ |
|---|---|---|---|---|
1A0F-GTS | data/1A/1A0F-GTS/1A0F-GTS_ligand.pdbqt | data/1A/1A0F-GTS/1A0F-GTS_target.pdbqt | data/1A/1A0F-GTS/1A0F-GTS_decoys.pdbqt | data/1A/1A0F-GTS/1A0F-GTS_decoy_scores.csv |
1A69-FMB | data/1A/1A69-FMB/1A69-FMB_ligand.pdbqt | data/1A/1A69-FMB/1A69-FMB_target.pdbqt | data/1A/1A69-FMB/1A69-FMB_decoys.pdbqt | data/1A/1A69-FMB/1A69-FMB_decoy_scores.csv |
1AKR-FMN | data/1A/1AKR-FMN/1AKR-FMN_ligand.pdbqt | data/1A/1AKR-FMN/1AKR-FMN_target.pdbqt | data/1A/1AKR-FMN/1AKR-FMN_decoys.pdbqt | data/1A/1AKR-FMN/1AKR-FMN_decoy_scores.csv |
1AJN-AAN | data/1A/1AJN-AAN/1AJN-AAN_ligand.pdbqt | data/1A/1AJN-AAN/1AJN-AAN_target.pdbqt | data/1A/1AJN-AAN/1AJN-AAN_decoys.pdbqt | data/1A/1AJN-AAN/1AJN-AAN_decoy_scores.csv |
1A95-GUN | data/1A/1A95-GUN/1A95-GUN_ligand.pdbqt | data/1A/1A95-GUN/1A95-GUN_target.pdbqt | null | null |
1A9Z-UPG | data/1A/1A9Z-UPG/1A9Z-UPG_ligand.pdbqt | data/1A/1A9Z-UPG/1A9Z-UPG_target.pdbqt | data/1A/1A9Z-UPG/1A9Z-UPG_decoys.pdbqt | data/1A/1A9Z-UPG/1A9Z-UPG_decoy_scores.csv |
1AKD-CAM | data/1A/1AKD-CAM/1AKD-CAM_ligand.pdbqt | data/1A/1AKD-CAM/1AKD-CAM_target.pdbqt | data/1A/1AKD-CAM/1AKD-CAM_decoys.pdbqt | data/1A/1AKD-CAM/1AKD-CAM_decoy_scores.csv |
1AMQ-PMP | data/1A/1AMQ-PMP/1AMQ-PMP_ligand.pdbqt | data/1A/1AMQ-PMP/1AMQ-PMP_target.pdbqt | data/1A/1AMQ-PMP/1AMQ-PMP_decoys.pdbqt | data/1A/1AMQ-PMP/1AMQ-PMP_decoy_scores.csv |
1A8A-GSE | data/1A/1A8A-GSE/1A8A-GSE_ligand.pdbqt | data/1A/1A8A-GSE/1A8A-GSE_target.pdbqt | data/1A/1A8A-GSE/1A8A-GSE_decoys.pdbqt | data/1A/1A8A-GSE/1A8A-GSE_decoy_scores.csv |
1AMR-PMP | data/1A/1AMR-PMP/1AMR-PMP_ligand.pdbqt | data/1A/1AMR-PMP/1AMR-PMP_target.pdbqt | data/1A/1AMR-PMP/1AMR-PMP_decoys.pdbqt | data/1A/1AMR-PMP/1AMR-PMP_decoy_scores.csv |
1AZL-FMN | data/1A/1AZL-FMN/1AZL-FMN_ligand.pdbqt | data/1A/1AZL-FMN/1AZL-FMN_target.pdbqt | data/1A/1AZL-FMN/1AZL-FMN_decoys.pdbqt | data/1A/1AZL-FMN/1AZL-FMN_decoy_scores.csv |
1AYM-DAO | data/1A/1AYM-DAO/1AYM-DAO_ligand.pdbqt | data/1A/1AYM-DAO/1AYM-DAO_target.pdbqt | data/1A/1AYM-DAO/1AYM-DAO_decoys.pdbqt | data/1A/1AYM-DAO/1AYM-DAO_decoy_scores.csv |
1ADD-1DA | data/1A/1ADD-1DA/1ADD-1DA_ligand.pdbqt | data/1A/1ADD-1DA/1ADD-1DA_target.pdbqt | data/1A/1ADD-1DA/1ADD-1DA_decoys.pdbqt | data/1A/1ADD-1DA/1ADD-1DA_decoy_scores.csv |
1AZ8-IN4 | data/1A/1AZ8-IN4/1AZ8-IN4_ligand.pdbqt | data/1A/1AZ8-IN4/1AZ8-IN4_target.pdbqt | data/1A/1AZ8-IN4/1AZ8-IN4_decoys.pdbqt | data/1A/1AZ8-IN4/1AZ8-IN4_decoy_scores.csv |
1AFA-MBG | data/1A/1AFA-MBG/1AFA-MBG_ligand.pdbqt | data/1A/1AFA-MBG/1AFA-MBG_target.pdbqt | data/1A/1AFA-MBG/1AFA-MBG_decoys.pdbqt | data/1A/1AFA-MBG/1AFA-MBG_decoy_scores.csv |
1A5G-00L | data/1A/1A5G-00L/1A5G-00L_ligand.pdbqt | data/1A/1A5G-00L/1A5G-00L_target.pdbqt | data/1A/1A5G-00L/1A5G-00L_decoys.pdbqt | data/1A/1A5G-00L/1A5G-00L_decoy_scores.csv |
1A0G-PMP | data/1A/1A0G-PMP/1A0G-PMP_ligand.pdbqt | data/1A/1A0G-PMP/1A0G-PMP_target.pdbqt | data/1A/1A0G-PMP/1A0G-PMP_decoys.pdbqt | data/1A/1A0G-PMP/1A0G-PMP_decoy_scores.csv |
1A5B-IGP | data/1A/1A5B-IGP/1A5B-IGP_ligand.pdbqt | data/1A/1A5B-IGP/1A5B-IGP_target.pdbqt | data/1A/1A5B-IGP/1A5B-IGP_decoys.pdbqt | data/1A/1A5B-IGP/1A5B-IGP_decoy_scores.csv |
1AF0-0Z9 | data/1A/1AF0-0Z9/1AF0-0Z9_ligand.pdbqt | data/1A/1AF0-0Z9/1AF0-0Z9_target.pdbqt | data/1A/1AF0-0Z9/1AF0-0Z9_decoys.pdbqt | data/1A/1AF0-0Z9/1AF0-0Z9_decoy_scores.csv |
1A9P-9DI | data/1A/1A9P-9DI/1A9P-9DI_ligand.pdbqt | data/1A/1A9P-9DI/1A9P-9DI_target.pdbqt | data/1A/1A9P-9DI/1A9P-9DI_decoys.pdbqt | data/1A/1A9P-9DI/1A9P-9DI_decoy_scores.csv |
1A8B-GPE | data/1A/1A8B-GPE/1A8B-GPE_ligand.pdbqt | data/1A/1A8B-GPE/1A8B-GPE_target.pdbqt | data/1A/1A8B-GPE/1A8B-GPE_decoys.pdbqt | data/1A/1A8B-GPE/1A8B-GPE_decoy_scores.csv |
1A49-ATP | data/1A/1A49-ATP/1A49-ATP_ligand.pdbqt | data/1A/1A49-ATP/1A49-ATP_target.pdbqt | data/1A/1A49-ATP/1A49-ATP_decoys.pdbqt | data/1A/1A49-ATP/1A49-ATP_decoy_scores.csv |
1A5S-FIP | data/1A/1A5S-FIP/1A5S-FIP_ligand.pdbqt | data/1A/1A5S-FIP/1A5S-FIP_target.pdbqt | data/1A/1A5S-FIP/1A5S-FIP_decoys.pdbqt | data/1A/1A5S-FIP/1A5S-FIP_decoy_scores.csv |
1AER-TAD | data/1A/1AER-TAD/1AER-TAD_ligand.pdbqt | data/1A/1AER-TAD/1AER-TAD_target.pdbqt | data/1A/1AER-TAD/1AER-TAD_decoys.pdbqt | data/1A/1AER-TAD/1AER-TAD_decoy_scores.csv |
1AJV-NMB | data/1A/1AJV-NMB/1AJV-NMB_ligand.pdbqt | data/1A/1AJV-NMB/1AJV-NMB_target.pdbqt | data/1A/1AJV-NMB/1AJV-NMB_decoys.pdbqt | data/1A/1AJV-NMB/1AJV-NMB_decoy_scores.csv |
1AIC-PMP | data/1A/1AIC-PMP/1AIC-PMP_ligand.pdbqt | data/1A/1AIC-PMP/1AIC-PMP_target.pdbqt | data/1A/1AIC-PMP/1AIC-PMP_decoys.pdbqt | data/1A/1AIC-PMP/1AIC-PMP_decoy_scores.csv |
1AIQ-UMP | data/1A/1AIQ-UMP/1AIQ-UMP_ligand.pdbqt | data/1A/1AIQ-UMP/1AIQ-UMP_target.pdbqt | data/1A/1AIQ-UMP/1AIQ-UMP_decoys.pdbqt | data/1A/1AIQ-UMP/1AIQ-UMP_decoy_scores.csv |
1AYW-IN3 | data/1A/1AYW-IN3/1AYW-IN3_ligand.pdbqt | data/1A/1AYW-IN3/1AYW-IN3_target.pdbqt | data/1A/1AYW-IN3/1AYW-IN3_decoys.pdbqt | data/1A/1AYW-IN3/1AYW-IN3_decoy_scores.csv |
1AER-AMP | data/1A/1AER-AMP/1AER-AMP_ligand.pdbqt | data/1A/1AER-AMP/1AER-AMP_target.pdbqt | data/1A/1AER-AMP/1AER-AMP_decoys.pdbqt | data/1A/1AER-AMP/1AER-AMP_decoy_scores.csv |
1AQ1-STU | data/1A/1AQ1-STU/1AQ1-STU_ligand.pdbqt | data/1A/1AQ1-STU/1AQ1-STU_target.pdbqt | data/1A/1AQ1-STU/1AQ1-STU_decoys.pdbqt | data/1A/1AQ1-STU/1AQ1-STU_decoy_scores.csv |
1AHF-IOP | data/1A/1AHF-IOP/1AHF-IOP_ligand.pdbqt | data/1A/1AHF-IOP/1AHF-IOP_target.pdbqt | data/1A/1AHF-IOP/1AHF-IOP_decoys.pdbqt | data/1A/1AHF-IOP/1AHF-IOP_decoy_scores.csv |
1ACO-TRA | data/1A/1ACO-TRA/1ACO-TRA_ligand.pdbqt | data/1A/1ACO-TRA/1ACO-TRA_target.pdbqt | data/1A/1ACO-TRA/1ACO-TRA_decoys.pdbqt | data/1A/1ACO-TRA/1ACO-TRA_decoy_scores.csv |
1AN9-BE2 | data/1A/1AN9-BE2/1AN9-BE2_ligand.pdbqt | data/1A/1AN9-BE2/1AN9-BE2_target.pdbqt | data/1A/1AN9-BE2/1AN9-BE2_decoys.pdbqt | data/1A/1AN9-BE2/1AN9-BE2_decoy_scores.csv |
1A9X-ADP | data/1A/1A9X-ADP/1A9X-ADP_ligand.pdbqt | data/1A/1A9X-ADP/1A9X-ADP_target.pdbqt | data/1A/1A9X-ADP/1A9X-ADP_decoys.pdbqt | data/1A/1A9X-ADP/1A9X-ADP_decoy_scores.csv |
1AXR-HTP | data/1A/1AXR-HTP/1AXR-HTP_ligand.pdbqt | data/1A/1AXR-HTP/1AXR-HTP_target.pdbqt | data/1A/1AXR-HTP/1AXR-HTP_decoys.pdbqt | data/1A/1AXR-HTP/1AXR-HTP_decoy_scores.csv |
1A4H-GDM | data/1A/1A4H-GDM/1A4H-GDM_ligand.pdbqt | data/1A/1A4H-GDM/1A4H-GDM_target.pdbqt | data/1A/1A4H-GDM/1A4H-GDM_decoys.pdbqt | data/1A/1A4H-GDM/1A4H-GDM_decoy_scores.csv |
1A82-ATP | data/1A/1A82-ATP/1A82-ATP_ligand.pdbqt | data/1A/1A82-ATP/1A82-ATP_target.pdbqt | data/1A/1A82-ATP/1A82-ATP_decoys.pdbqt | data/1A/1A82-ATP/1A82-ATP_decoy_scores.csv |
1AU3-PCM | data/1A/1AU3-PCM/1AU3-PCM_ligand.pdbqt | data/1A/1AU3-PCM/1AU3-PCM_target.pdbqt | data/1A/1AU3-PCM/1AU3-PCM_decoys.pdbqt | data/1A/1AU3-PCM/1AU3-PCM_decoy_scores.csv |
1AKV-FMN | data/1A/1AKV-FMN/1AKV-FMN_ligand.pdbqt | data/1A/1AKV-FMN/1AKV-FMN_target.pdbqt | data/1A/1AKV-FMN/1AKV-FMN_decoys.pdbqt | data/1A/1AKV-FMN/1AKV-FMN_decoy_scores.csv |
1AQY-A3P | data/1A/1AQY-A3P/1AQY-A3P_ligand.pdbqt | data/1A/1AQY-A3P/1AQY-A3P_target.pdbqt | data/1A/1AQY-A3P/1AQY-A3P_decoys.pdbqt | data/1A/1AQY-A3P/1AQY-A3P_decoy_scores.csv |
1AP9-RET | data/1A/1AP9-RET/1AP9-RET_ligand.pdbqt | data/1A/1AP9-RET/1AP9-RET_target.pdbqt | data/1A/1AP9-RET/1AP9-RET_decoys.pdbqt | data/1A/1AP9-RET/1AP9-RET_decoy_scores.csv |
1AT3-DFP | data/1A/1AT3-DFP/1AT3-DFP_ligand.pdbqt | data/1A/1AT3-DFP/1AT3-DFP_target.pdbqt | data/1A/1AT3-DFP/1AT3-DFP_decoys.pdbqt | data/1A/1AT3-DFP/1AT3-DFP_decoy_scores.csv |
1AWB-IPD | data/1A/1AWB-IPD/1AWB-IPD_ligand.pdbqt | data/1A/1AWB-IPD/1AWB-IPD_target.pdbqt | data/1A/1AWB-IPD/1AWB-IPD_decoys.pdbqt | data/1A/1AWB-IPD/1AWB-IPD_decoy_scores.csv |
1ARC-TCK | data/1A/1ARC-TCK/1ARC-TCK_ligand.pdbqt | data/1A/1ARC-TCK/1ARC-TCK_target.pdbqt | data/1A/1ARC-TCK/1ARC-TCK_decoys.pdbqt | data/1A/1ARC-TCK/1ARC-TCK_decoy_scores.csv |
1AXE-NAD | data/1A/1AXE-NAD/1AXE-NAD_ligand.pdbqt | data/1A/1AXE-NAD/1AXE-NAD_target.pdbqt | data/1A/1AXE-NAD/1AXE-NAD_decoys.pdbqt | data/1A/1AXE-NAD/1AXE-NAD_decoy_scores.csv |
1A05-IPM | data/1A/1A05-IPM/1A05-IPM_ligand.pdbqt | data/1A/1A05-IPM/1A05-IPM_target.pdbqt | data/1A/1A05-IPM/1A05-IPM_decoys.pdbqt | data/1A/1A05-IPM/1A05-IPM_decoy_scores.csv |
1AI4-DHY | data/1A/1AI4-DHY/1AI4-DHY_ligand.pdbqt | data/1A/1AI4-DHY/1AI4-DHY_target.pdbqt | data/1A/1AI4-DHY/1AI4-DHY_decoys.pdbqt | data/1A/1AI4-DHY/1AI4-DHY_decoy_scores.csv |
1AD8-MDL | data/1A/1AD8-MDL/1AD8-MDL_ligand.pdbqt | data/1A/1AD8-MDL/1AD8-MDL_target.pdbqt | data/1A/1AD8-MDL/1AD8-MDL_decoys.pdbqt | data/1A/1AD8-MDL/1AD8-MDL_decoy_scores.csv |
1A9T-R1P | data/1A/1A9T-R1P/1A9T-R1P_ligand.pdbqt | data/1A/1A9T-R1P/1A9T-R1P_target.pdbqt | data/1A/1A9T-R1P/1A9T-R1P_decoys.pdbqt | data/1A/1A9T-R1P/1A9T-R1P_decoy_scores.csv |
1APB-FCA | data/1A/1APB-FCA/1APB-FCA_ligand.pdbqt | data/1A/1APB-FCA/1APB-FCA_target.pdbqt | data/1A/1APB-FCA/1APB-FCA_decoys.pdbqt | data/1A/1APB-FCA/1APB-FCA_decoy_scores.csv |
1AU4-INP | data/1A/1AU4-INP/1AU4-INP_ligand.pdbqt | data/1A/1AU4-INP/1AU4-INP_target.pdbqt | data/1A/1AU4-INP/1AU4-INP_decoys.pdbqt | data/1A/1AU4-INP/1AU4-INP_decoy_scores.csv |
1A2B-GSP | data/1A/1A2B-GSP/1A2B-GSP_ligand.pdbqt | data/1A/1A2B-GSP/1A2B-GSP_target.pdbqt | data/1A/1A2B-GSP/1A2B-GSP_decoys.pdbqt | data/1A/1A2B-GSP/1A2B-GSP_decoy_scores.csv |
1ATP-ATP | data/1A/1ATP-ATP/1ATP-ATP_ligand.pdbqt | data/1A/1ATP-ATP/1ATP-ATP_target.pdbqt | data/1A/1ATP-ATP/1ATP-ATP_decoys.pdbqt | data/1A/1ATP-ATP/1ATP-ATP_decoy_scores.csv |
1AI3-ICT | data/1A/1AI3-ICT/1AI3-ICT_ligand.pdbqt | data/1A/1AI3-ICT/1AI3-ICT_target.pdbqt | data/1A/1AI3-ICT/1AI3-ICT_decoys.pdbqt | data/1A/1AI3-ICT/1AI3-ICT_decoy_scores.csv |
1AU8-0H8 | data/1A/1AU8-0H8/1AU8-0H8_ligand.pdbqt | data/1A/1AU8-0H8/1AU8-0H8_target.pdbqt | data/1A/1AU8-0H8/1AU8-0H8_decoys.pdbqt | data/1A/1AU8-0H8/1AU8-0H8_decoy_scores.csv |
1AJS-PLA | data/1A/1AJS-PLA/1AJS-PLA_ligand.pdbqt | data/1A/1AJS-PLA/1AJS-PLA_target.pdbqt | data/1A/1AJS-PLA/1AJS-PLA_decoys.pdbqt | data/1A/1AJS-PLA/1AJS-PLA_decoy_scores.csv |
1A2U-THP | data/1A/1A2U-THP/1A2U-THP_ligand.pdbqt | data/1A/1A2U-THP/1A2U-THP_target.pdbqt | data/1A/1A2U-THP/1A2U-THP_decoys.pdbqt | data/1A/1A2U-THP/1A2U-THP_decoy_scores.csv |
1A9Q-HPA | data/1A/1A9Q-HPA/1A9Q-HPA_ligand.pdbqt | data/1A/1A9Q-HPA/1A9Q-HPA_target.pdbqt | data/1A/1A9Q-HPA/1A9Q-HPA_decoys.pdbqt | data/1A/1A9Q-HPA/1A9Q-HPA_decoy_scores.csv |
1AQB-RTL | data/1A/1AQB-RTL/1AQB-RTL_ligand.pdbqt | data/1A/1AQB-RTL/1AQB-RTL_target.pdbqt | data/1A/1AQB-RTL/1AQB-RTL_decoys.pdbqt | data/1A/1AQB-RTL/1AQB-RTL_decoy_scores.csv |
1AER-TIA | data/1A/1AER-TIA/1AER-TIA_ligand.pdbqt | data/1A/1AER-TIA/1AER-TIA_target.pdbqt | data/1A/1AER-TIA/1AER-TIA_decoys.pdbqt | data/1A/1AER-TIA/1AER-TIA_decoy_scores.csv |
1AJX-AH1 | data/1A/1AJX-AH1/1AJX-AH1_ligand.pdbqt | data/1A/1AJX-AH1/1AJX-AH1_target.pdbqt | data/1A/1AJX-AH1/1AJX-AH1_decoys.pdbqt | data/1A/1AJX-AH1/1AJX-AH1_decoy_scores.csv |
1A50-FIP | data/1A/1A50-FIP/1A50-FIP_ligand.pdbqt | data/1A/1A50-FIP/1A50-FIP_target.pdbqt | data/1A/1A50-FIP/1A50-FIP_decoys.pdbqt | data/1A/1A50-FIP/1A50-FIP_decoy_scores.csv |
1AQX-GTD | data/1A/1AQX-GTD/1AQX-GTD_ligand.pdbqt | data/1A/1AQX-GTD/1AQX-GTD_target.pdbqt | data/1A/1AQX-GTD/1AQX-GTD_decoys.pdbqt | data/1A/1AQX-GTD/1AQX-GTD_decoy_scores.csv |
1AJ6-NOV | data/1A/1AJ6-NOV/1AJ6-NOV_ligand.pdbqt | data/1A/1AJ6-NOV/1AJ6-NOV_target.pdbqt | data/1A/1AJ6-NOV/1AJ6-NOV_decoys.pdbqt | data/1A/1AJ6-NOV/1AJ6-NOV_decoy_scores.csv |
1A9S-NOS | data/1A/1A9S-NOS/1A9S-NOS_ligand.pdbqt | data/1A/1A9S-NOS/1A9S-NOS_target.pdbqt | data/1A/1A9S-NOS/1A9S-NOS_decoys.pdbqt | data/1A/1A9S-NOS/1A9S-NOS_decoy_scores.csv |
1AAQ-PSI | data/1A/1AAQ-PSI/1AAQ-PSI_ligand.pdbqt | data/1A/1AAQ-PSI/1AAQ-PSI_target.pdbqt | data/1A/1AAQ-PSI/1AAQ-PSI_decoys.pdbqt | data/1A/1AAQ-PSI/1AAQ-PSI_decoy_scores.csv |
1A9Z-NAD | data/1A/1A9Z-NAD/1A9Z-NAD_ligand.pdbqt | data/1A/1A9Z-NAD/1A9Z-NAD_target.pdbqt | data/1A/1A9Z-NAD/1A9Z-NAD_decoys.pdbqt | data/1A/1A9Z-NAD/1A9Z-NAD_decoy_scores.csv |
1AQU-EST | data/1A/1AQU-EST/1AQU-EST_ligand.pdbqt | data/1A/1AQU-EST/1AQU-EST_target.pdbqt | data/1A/1AQU-EST/1AQU-EST_decoys.pdbqt | data/1A/1AQU-EST/1AQU-EST_decoy_scores.csv |
1AI5-MNP | data/1A/1AI5-MNP/1AI5-MNP_ligand.pdbqt | data/1A/1AI5-MNP/1AI5-MNP_target.pdbqt | data/1A/1AI5-MNP/1AI5-MNP_decoys.pdbqt | data/1A/1AI5-MNP/1AI5-MNP_decoy_scores.csv |
1A2T-THP | data/1A/1A2T-THP/1A2T-THP_ligand.pdbqt | data/1A/1A2T-THP/1A2T-THP_target.pdbqt | data/1A/1A2T-THP/1A2T-THP_decoys.pdbqt | data/1A/1A2T-THP/1A2T-THP_decoy_scores.csv |
1AKW-FMN | data/1A/1AKW-FMN/1AKW-FMN_ligand.pdbqt | data/1A/1AKW-FMN/1AKW-FMN_target.pdbqt | data/1A/1AKW-FMN/1AKW-FMN_decoys.pdbqt | data/1A/1AKW-FMN/1AKW-FMN_decoy_scores.csv |
1AMU-AMP | data/1A/1AMU-AMP/1AMU-AMP_ligand.pdbqt | data/1A/1AMU-AMP/1AMU-AMP_target.pdbqt | data/1A/1AMU-AMP/1AMU-AMP_decoys.pdbqt | data/1A/1AMU-AMP/1AMU-AMP_decoy_scores.csv |
1AKU-FMN | data/1A/1AKU-FMN/1AKU-FMN_ligand.pdbqt | data/1A/1AKU-FMN/1AKU-FMN_target.pdbqt | data/1A/1AKU-FMN/1AKU-FMN_decoys.pdbqt | data/1A/1AKU-FMN/1AKU-FMN_decoy_scores.csv |
1AJP-OMD | data/1A/1AJP-OMD/1AJP-OMD_ligand.pdbqt | data/1A/1AJP-OMD/1AJP-OMD_target.pdbqt | data/1A/1AJP-OMD/1AJP-OMD_decoys.pdbqt | data/1A/1AJP-OMD/1AJP-OMD_decoy_scores.csv |
1AY6-1ZV | data/1A/1AY6-1ZV/1AY6-1ZV_ligand.pdbqt | data/1A/1AY6-1ZV/1AY6-1ZV_target.pdbqt | data/1A/1AY6-1ZV/1AY6-1ZV_decoys.pdbqt | data/1A/1AY6-1ZV/1AY6-1ZV_decoy_scores.csv |
1A96-XAN | data/1A/1A96-XAN/1A96-XAN_ligand.pdbqt | data/1A/1A96-XAN/1A96-XAN_target.pdbqt | null | null |
1AGW-SU2 | data/1A/1AGW-SU2/1AGW-SU2_ligand.pdbqt | data/1A/1AGW-SU2/1AGW-SU2_target.pdbqt | data/1A/1AGW-SU2/1AGW-SU2_decoys.pdbqt | data/1A/1AGW-SU2/1AGW-SU2_decoy_scores.csv |
1A3V-THP | data/1A/1A3V-THP/1A3V-THP_ligand.pdbqt | data/1A/1A3V-THP/1A3V-THP_target.pdbqt | data/1A/1A3V-THP/1A3V-THP_decoys.pdbqt | data/1A/1A3V-THP/1A3V-THP_decoy_scores.csv |
1A4G-ZMR | data/1A/1A4G-ZMR/1A4G-ZMR_ligand.pdbqt | data/1A/1A4G-ZMR/1A4G-ZMR_target.pdbqt | data/1A/1A4G-ZMR/1A4G-ZMR_decoys.pdbqt | data/1A/1A4G-ZMR/1A4G-ZMR_decoy_scores.csv |
1AF2-U | data/1A/1AF2-U/1AF2-U_ligand.pdbqt | data/1A/1AF2-U/1AF2-U_target.pdbqt | data/1A/1AF2-U/1AF2-U_decoys.pdbqt | data/1A/1AF2-U/1AF2-U_decoy_scores.csv |
8C7X-TXV | data/8C/8C7X-TXV/8C7X-TXV_ligand.pdbqt | data/8C/8C7X-TXV/8C7X-TXV_target.pdbqt | data/8C/8C7X-TXV/8C7X-TXV_decoys.pdbqt | data/8C/8C7X-TXV/8C7X-TXV_decoy_scores.csv |
8C6D-SQS | data/8C/8C6D-SQS/8C6D-SQS_ligand.pdbqt | data/8C/8C6D-SQS/8C6D-SQS_target.pdbqt | data/8C/8C6D-SQS/8C6D-SQS_decoys.pdbqt | data/8C/8C6D-SQS/8C6D-SQS_decoy_scores.csv |
8C0F-GTP | data/8C/8C0F-GTP/8C0F-GTP_ligand.pdbqt | data/8C/8C0F-GTP/8C0F-GTP_target.pdbqt | data/8C/8C0F-GTP/8C0F-GTP_decoys.pdbqt | data/8C/8C0F-GTP/8C0F-GTP_decoy_scores.csv |
8CSD-KDO | data/8C/8CSD-KDO/8CSD-KDO_ligand.pdbqt | data/8C/8CSD-KDO/8CSD-KDO_target.pdbqt | data/8C/8CSD-KDO/8CSD-KDO_decoys.pdbqt | data/8C/8CSD-KDO/8CSD-KDO_decoy_scores.csv |
8CIR-B3P | data/8C/8CIR-B3P/8CIR-B3P_ligand.pdbqt | data/8C/8CIR-B3P/8CIR-B3P_target.pdbqt | data/8C/8CIR-B3P/8CIR-B3P_decoys.pdbqt | data/8C/8CIR-B3P/8CIR-B3P_decoy_scores.csv |
8CZW-P8U | data/8C/8CZW-P8U/8CZW-P8U_ligand.pdbqt | data/8C/8CZW-P8U/8CZW-P8U_target.pdbqt | data/8C/8CZW-P8U/8CZW-P8U_decoys.pdbqt | data/8C/8CZW-P8U/8CZW-P8U_decoy_scores.csv |
8CZX-PJR | data/8C/8CZX-PJR/8CZX-PJR_ligand.pdbqt | data/8C/8CZX-PJR/8CZX-PJR_target.pdbqt | data/8C/8CZX-PJR/8CZX-PJR_decoys.pdbqt | data/8C/8CZX-PJR/8CZX-PJR_decoy_scores.csv |
8CVN-NAI | data/8C/8CVN-NAI/8CVN-NAI_ligand.pdbqt | data/8C/8CVN-NAI/8CVN-NAI_target.pdbqt | data/8C/8CVN-NAI/8CVN-NAI_decoys.pdbqt | data/8C/8CVN-NAI/8CVN-NAI_decoy_scores.csv |
8C3N-ADP | data/8C/8C3N-ADP/8C3N-ADP_ligand.pdbqt | data/8C/8C3N-ADP/8C3N-ADP_target.pdbqt | data/8C/8C3N-ADP/8C3N-ADP_decoys.pdbqt | data/8C/8C3N-ADP/8C3N-ADP_decoy_scores.csv |
8CTF-Q3O | data/8C/8CTF-Q3O/8CTF-Q3O_ligand.pdbqt | data/8C/8CTF-Q3O/8CTF-Q3O_target.pdbqt | data/8C/8CTF-Q3O/8CTF-Q3O_decoys.pdbqt | data/8C/8CTF-Q3O/8CTF-Q3O_decoy_scores.csv |
8CU7-CLR | data/8C/8CU7-CLR/8CU7-CLR_ligand.pdbqt | data/8C/8CU7-CLR/8CU7-CLR_target.pdbqt | data/8C/8CU7-CLR/8CU7-CLR_decoys.pdbqt | data/8C/8CU7-CLR/8CU7-CLR_decoy_scores.csv |
8CU7-LJX | data/8C/8CU7-LJX/8CU7-LJX_ligand.pdbqt | data/8C/8CU7-LJX/8CU7-LJX_target.pdbqt | data/8C/8CU7-LJX/8CU7-LJX_decoys.pdbqt | data/8C/8CU7-LJX/8CU7-LJX_decoy_scores.csv |
8CHO-P4C | data/8C/8CHO-P4C/8CHO-P4C_ligand.pdbqt | data/8C/8CHO-P4C/8CHO-P4C_target.pdbqt | data/8C/8CHO-P4C/8CHO-P4C_decoys.pdbqt | data/8C/8CHO-P4C/8CHO-P4C_decoy_scores.csv |
8C0R-SXL | data/8C/8C0R-SXL/8C0R-SXL_ligand.pdbqt | data/8C/8C0R-SXL/8C0R-SXL_target.pdbqt | data/8C/8C0R-SXL/8C0R-SXL_decoys.pdbqt | data/8C/8C0R-SXL/8C0R-SXL_decoy_scores.csv |
8CSG-PWL | data/8C/8CSG-PWL/8CSG-PWL_ligand.pdbqt | data/8C/8CSG-PWL/8CSG-PWL_target.pdbqt | data/8C/8CSG-PWL/8CSG-PWL_decoys.pdbqt | data/8C/8CSG-PWL/8CSG-PWL_decoy_scores.csv |
8C7Z-TZX | data/8C/8C7Z-TZX/8C7Z-TZX_ligand.pdbqt | data/8C/8C7Z-TZX/8C7Z-TZX_target.pdbqt | data/8C/8C7Z-TZX/8C7Z-TZX_decoys.pdbqt | data/8C/8C7Z-TZX/8C7Z-TZX_decoy_scores.csv |
8CSG-MTA | data/8C/8CSG-MTA/8CSG-MTA_ligand.pdbqt | data/8C/8CSG-MTA/8CSG-MTA_target.pdbqt | data/8C/8CSG-MTA/8CSG-MTA_decoys.pdbqt | data/8C/8CSG-MTA/8CSG-MTA_decoy_scores.csv |
8CT4-OU6 | data/8C/8CT4-OU6/8CT4-OU6_ligand.pdbqt | data/8C/8CT4-OU6/8CT4-OU6_target.pdbqt | data/8C/8CT4-OU6/8CT4-OU6_decoys.pdbqt | data/8C/8CT4-OU6/8CT4-OU6_decoy_scores.csv |
8C0F-ACP | data/8C/8C0F-ACP/8C0F-ACP_ligand.pdbqt | data/8C/8C0F-ACP/8C0F-ACP_target.pdbqt | data/8C/8C0F-ACP/8C0F-ACP_decoys.pdbqt | data/8C/8C0F-ACP/8C0F-ACP_decoy_scores.csv |
8CUY-PNS | data/8C/8CUY-PNS/8CUY-PNS_ligand.pdbqt | data/8C/8CUY-PNS/8CUY-PNS_target.pdbqt | data/8C/8CUY-PNS/8CUY-PNS_decoys.pdbqt | data/8C/8CUY-PNS/8CUY-PNS_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.