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 ⌀ |
|---|---|---|---|---|
8AOJ-N8L | data/8A/8AOJ-N8L/8AOJ-N8L_ligand.pdbqt | data/8A/8AOJ-N8L/8AOJ-N8L_target.pdbqt | data/8A/8AOJ-N8L/8AOJ-N8L_decoys.pdbqt | data/8A/8AOJ-N8L/8AOJ-N8L_decoy_scores.csv |
8AID-NHE | data/8A/8AID-NHE/8AID-NHE_ligand.pdbqt | data/8A/8AID-NHE/8AID-NHE_target.pdbqt | data/8A/8AID-NHE/8AID-NHE_decoys.pdbqt | data/8A/8AID-NHE/8AID-NHE_decoy_scores.csv |
8AKI-AIX | data/8A/8AKI-AIX/8AKI-AIX_ligand.pdbqt | data/8A/8AKI-AIX/8AKI-AIX_target.pdbqt | data/8A/8AKI-AIX/8AKI-AIX_decoys.pdbqt | data/8A/8AKI-AIX/8AKI-AIX_decoy_scores.csv |
8AR7-ADP | data/8A/8AR7-ADP/8AR7-ADP_ligand.pdbqt | data/8A/8AR7-ADP/8AR7-ADP_target.pdbqt | data/8A/8AR7-ADP/8AR7-ADP_decoys.pdbqt | data/8A/8AR7-ADP/8AR7-ADP_decoy_scores.csv |
8AUE-O8R | data/8A/8AUE-O8R/8AUE-O8R_ligand.pdbqt | data/8A/8AUE-O8R/8AUE-O8R_target.pdbqt | data/8A/8AUE-O8R/8AUE-O8R_decoys.pdbqt | data/8A/8AUE-O8R/8AUE-O8R_decoy_scores.csv |
8ABK-XP4 | data/8A/8ABK-XP4/8ABK-XP4_ligand.pdbqt | data/8A/8ABK-XP4/8ABK-XP4_target.pdbqt | data/8A/8ABK-XP4/8ABK-XP4_decoys.pdbqt | data/8A/8ABK-XP4/8ABK-XP4_decoy_scores.csv |
8AZ8-OEI | data/8A/8AZ8-OEI/8AZ8-OEI_ligand.pdbqt | data/8A/8AZ8-OEI/8AZ8-OEI_target.pdbqt | data/8A/8AZ8-OEI/8AZ8-OEI_decoys.pdbqt | data/8A/8AZ8-OEI/8AZ8-OEI_decoy_scores.csv |
8AUN-L9I | data/8A/8AUN-L9I/8AUN-L9I_ligand.pdbqt | data/8A/8AUN-L9I/8AUN-L9I_target.pdbqt | data/8A/8AUN-L9I/8AUN-L9I_decoys.pdbqt | data/8A/8AUN-L9I/8AUN-L9I_decoy_scores.csv |
8ABX-N39 | data/8A/8ABX-N39/8ABX-N39_ligand.pdbqt | data/8A/8ABX-N39/8ABX-N39_target.pdbqt | data/8A/8ABX-N39/8ABX-N39_decoys.pdbqt | data/8A/8ABX-N39/8ABX-N39_decoy_scores.csv |
8AOD-NY0 | data/8A/8AOD-NY0/8AOD-NY0_ligand.pdbqt | data/8A/8AOD-NY0/8AOD-NY0_target.pdbqt | data/8A/8AOD-NY0/8AOD-NY0_decoys.pdbqt | data/8A/8AOD-NY0/8AOD-NY0_decoy_scores.csv |
8A2U-ADP | data/8A/8A2U-ADP/8A2U-ADP_ligand.pdbqt | data/8A/8A2U-ADP/8A2U-ADP_target.pdbqt | null | null |
8A8I-L9I | data/8A/8A8I-L9I/8A8I-L9I_ligand.pdbqt | data/8A/8A8I-L9I/8A8I-L9I_target.pdbqt | data/8A/8A8I-L9I/8A8I-L9I_decoys.pdbqt | data/8A/8A8I-L9I/8A8I-L9I_decoy_scores.csv |
8AHQ-PNS | data/8A/8AHQ-PNS/8AHQ-PNS_ligand.pdbqt | data/8A/8AHQ-PNS/8AHQ-PNS_target.pdbqt | data/8A/8AHQ-PNS/8AHQ-PNS_decoys.pdbqt | data/8A/8AHQ-PNS/8AHQ-PNS_decoy_scores.csv |
8AUA-L9I | data/8A/8AUA-L9I/8AUA-L9I_ligand.pdbqt | data/8A/8AUA-L9I/8AUA-L9I_target.pdbqt | data/8A/8AUA-L9I/8AUA-L9I_decoys.pdbqt | data/8A/8AUA-L9I/8AUA-L9I_decoy_scores.csv |
8A4T-O6K | data/8A/8A4T-O6K/8A4T-O6K_ligand.pdbqt | data/8A/8A4T-O6K/8A4T-O6K_target.pdbqt | data/8A/8A4T-O6K/8A4T-O6K_decoys.pdbqt | data/8A/8A4T-O6K/8A4T-O6K_decoy_scores.csv |
8ANS-MDI | data/8A/8ANS-MDI/8ANS-MDI_ligand.pdbqt | data/8A/8ANS-MDI/8ANS-MDI_target.pdbqt | data/8A/8ANS-MDI/8ANS-MDI_decoys.pdbqt | data/8A/8ANS-MDI/8ANS-MDI_decoy_scores.csv |
8AOH-N96 | data/8A/8AOH-N96/8AOH-N96_ligand.pdbqt | data/8A/8AOH-N96/8AOH-N96_target.pdbqt | data/8A/8AOH-N96/8AOH-N96_decoys.pdbqt | data/8A/8AOH-N96/8AOH-N96_decoy_scores.csv |
8AHM-ACP | data/8A/8AHM-ACP/8AHM-ACP_ligand.pdbqt | data/8A/8AHM-ACP/8AHM-ACP_target.pdbqt | data/8A/8AHM-ACP/8AHM-ACP_decoys.pdbqt | data/8A/8AHM-ACP/8AHM-ACP_decoy_scores.csv |
8AZ9-OF6 | data/8A/8AZ9-OF6/8AZ9-OF6_ligand.pdbqt | data/8A/8AZ9-OF6/8AZ9-OF6_target.pdbqt | data/8A/8AZ9-OF6/8AZ9-OF6_decoys.pdbqt | data/8A/8AZ9-OF6/8AZ9-OF6_decoy_scores.csv |
8AFB-LXD | data/8A/8AFB-LXD/8AFB-LXD_ligand.pdbqt | data/8A/8AFB-LXD/8AFB-LXD_target.pdbqt | data/8A/8AFB-LXD/8AFB-LXD_decoys.pdbqt | data/8A/8AFB-LXD/8AFB-LXD_decoy_scores.csv |
8ABU-LJU | data/8A/8ABU-LJU/8ABU-LJU_ligand.pdbqt | data/8A/8ABU-LJU/8ABU-LJU_target.pdbqt | data/8A/8ABU-LJU/8ABU-LJU_decoys.pdbqt | data/8A/8ABU-LJU/8ABU-LJU_decoy_scores.csv |
8A7I-L8L | data/8A/8A7I-L8L/8A7I-L8L_ligand.pdbqt | data/8A/8A7I-L8L/8A7I-L8L_target.pdbqt | data/8A/8A7I-L8L/8A7I-L8L_decoys.pdbqt | data/8A/8A7I-L8L/8A7I-L8L_decoy_scores.csv |
8A3H-IDC | data/8A/8A3H-IDC/8A3H-IDC_ligand.pdbqt | data/8A/8A3H-IDC/8A3H-IDC_target.pdbqt | data/8A/8A3H-IDC/8A3H-IDC_decoys.pdbqt | data/8A/8A3H-IDC/8A3H-IDC_decoy_scores.csv |
8AJP-SAH | data/8A/8AJP-SAH/8AJP-SAH_ligand.pdbqt | data/8A/8AJP-SAH/8AJP-SAH_target.pdbqt | data/8A/8AJP-SAH/8AJP-SAH_decoys.pdbqt | data/8A/8AJP-SAH/8AJP-SAH_decoy_scores.csv |
8AUF-O8I | data/8A/8AUF-O8I/8AUF-O8I_ligand.pdbqt | data/8A/8AUF-O8I/8AUF-O8I_target.pdbqt | data/8A/8AUF-O8I/8AUF-O8I_decoys.pdbqt | data/8A/8AUF-O8I/8AUF-O8I_decoy_scores.csv |
8AOA-N83 | data/8A/8AOA-N83/8AOA-N83_ligand.pdbqt | data/8A/8AOA-N83/8AOA-N83_target.pdbqt | data/8A/8AOA-N83/8AOA-N83_decoys.pdbqt | data/8A/8AOA-N83/8AOA-N83_decoy_scores.csv |
8ABP-GLA | data/8A/8ABP-GLA/8ABP-GLA_ligand.pdbqt | data/8A/8ABP-GLA/8ABP-GLA_target.pdbqt | data/8A/8ABP-GLA/8ABP-GLA_decoys.pdbqt | data/8A/8ABP-GLA/8ABP-GLA_decoy_scores.csv |
8AXP-O0J | data/8A/8AXP-O0J/8AXP-O0J_ligand.pdbqt | data/8A/8AXP-O0J/8AXP-O0J_target.pdbqt | data/8A/8AXP-O0J/8AXP-O0J_decoys.pdbqt | data/8A/8AXP-O0J/8AXP-O0J_decoy_scores.csv |
8AYX-YM2 | data/8A/8AYX-YM2/8AYX-YM2_ligand.pdbqt | data/8A/8AYX-YM2/8AYX-YM2_target.pdbqt | data/8A/8AYX-YM2/8AYX-YM2_decoys.pdbqt | data/8A/8AYX-YM2/8AYX-YM2_decoy_scores.csv |
8A5J-5BS | data/8A/8A5J-5BS/8A5J-5BS_ligand.pdbqt | data/8A/8A5J-5BS/8A5J-5BS_target.pdbqt | data/8A/8A5J-5BS/8A5J-5BS_decoys.pdbqt | data/8A/8A5J-5BS/8A5J-5BS_decoy_scores.csv |
8A5U-BCN | data/8A/8A5U-BCN/8A5U-BCN_ligand.pdbqt | data/8A/8A5U-BCN/8A5U-BCN_target.pdbqt | data/8A/8A5U-BCN/8A5U-BCN_decoys.pdbqt | data/8A/8A5U-BCN/8A5U-BCN_decoy_scores.csv |
8A8I-FMN | data/8A/8A8I-FMN/8A8I-FMN_ligand.pdbqt | data/8A/8A8I-FMN/8A8I-FMN_target.pdbqt | data/8A/8A8I-FMN/8A8I-FMN_decoys.pdbqt | data/8A/8A8I-FMN/8A8I-FMN_decoy_scores.csv |
8A9T-GTP | data/8A/8A9T-GTP/8A9T-GTP_ligand.pdbqt | data/8A/8A9T-GTP/8A9T-GTP_target.pdbqt | data/8A/8A9T-GTP/8A9T-GTP_decoys.pdbqt | data/8A/8A9T-GTP/8A9T-GTP_decoy_scores.csv |
8AUJ-L9I | data/8A/8AUJ-L9I/8AUJ-L9I_ligand.pdbqt | data/8A/8AUJ-L9I/8AUJ-L9I_target.pdbqt | data/8A/8AUJ-L9I/8AUJ-L9I_decoys.pdbqt | data/8A/8AUJ-L9I/8AUJ-L9I_decoy_scores.csv |
8AOD-NYI | data/8A/8AOD-NYI/8AOD-NYI_ligand.pdbqt | data/8A/8AOD-NYI/8AOD-NYI_target.pdbqt | data/8A/8AOD-NYI/8AOD-NYI_decoys.pdbqt | data/8A/8AOD-NYI/8AOD-NYI_decoy_scores.csv |
8AUE-FMN | data/8A/8AUE-FMN/8AUE-FMN_ligand.pdbqt | data/8A/8AUE-FMN/8AUE-FMN_target.pdbqt | data/8A/8AUE-FMN/8AUE-FMN_decoys.pdbqt | data/8A/8AUE-FMN/8AUE-FMN_decoy_scores.csv |
8A9T-ACP | data/8A/8A9T-ACP/8A9T-ACP_ligand.pdbqt | data/8A/8A9T-ACP/8A9T-ACP_target.pdbqt | data/8A/8A9T-ACP/8A9T-ACP_decoys.pdbqt | data/8A/8A9T-ACP/8A9T-ACP_decoy_scores.csv |
8ABK-DCQ | data/8A/8ABK-DCQ/8ABK-DCQ_ligand.pdbqt | data/8A/8ABK-DCQ/8ABK-DCQ_target.pdbqt | data/8A/8ABK-DCQ/8ABK-DCQ_decoys.pdbqt | data/8A/8ABK-DCQ/8ABK-DCQ_decoy_scores.csv |
8AEC-ATP | data/8A/8AEC-ATP/8AEC-ATP_ligand.pdbqt | data/8A/8AEC-ATP/8AEC-ATP_target.pdbqt | data/8A/8AEC-ATP/8AEC-ATP_decoys.pdbqt | data/8A/8AEC-ATP/8AEC-ATP_decoy_scores.csv |
8AXS-DAN | data/8A/8AXS-DAN/8AXS-DAN_ligand.pdbqt | data/8A/8AXS-DAN/8AXS-DAN_target.pdbqt | data/8A/8AXS-DAN/8AXS-DAN_decoys.pdbqt | data/8A/8AXS-DAN/8AXS-DAN_decoy_scores.csv |
8A0R-KML | data/8A/8A0R-KML/8A0R-KML_ligand.pdbqt | data/8A/8A0R-KML/8A0R-KML_target.pdbqt | data/8A/8A0R-KML/8A0R-KML_decoys.pdbqt | data/8A/8A0R-KML/8A0R-KML_decoy_scores.csv |
8A2D-KXY | data/8A/8A2D-KXY/8A2D-KXY_ligand.pdbqt | data/8A/8A2D-KXY/8A2D-KXY_target.pdbqt | data/8A/8A2D-KXY/8A2D-KXY_decoys.pdbqt | data/8A/8A2D-KXY/8A2D-KXY_decoy_scores.csv |
8ABE-LMT | data/8A/8ABE-LMT/8ABE-LMT_ligand.pdbqt | data/8A/8ABE-LMT/8ABE-LMT_target.pdbqt | data/8A/8ABE-LMT/8ABE-LMT_decoys.pdbqt | data/8A/8ABE-LMT/8ABE-LMT_decoy_scores.csv |
8A92-LE9 | data/8A/8A92-LE9/8A92-LE9_ligand.pdbqt | data/8A/8A92-LE9/8A92-LE9_target.pdbqt | data/8A/8A92-LE9/8A92-LE9_decoys.pdbqt | data/8A/8A92-LE9/8A92-LE9_decoy_scores.csv |
8AQ5-GDP | data/8A/8AQ5-GDP/8AQ5-GDP_ligand.pdbqt | data/8A/8AQ5-GDP/8AQ5-GDP_target.pdbqt | data/8A/8AQ5-GDP/8AQ5-GDP_decoys.pdbqt | data/8A/8AQ5-GDP/8AQ5-GDP_decoy_scores.csv |
8A46-L5F | data/8A/8A46-L5F/8A46-L5F_ligand.pdbqt | data/8A/8A46-L5F/8A46-L5F_target.pdbqt | data/8A/8A46-L5F/8A46-L5F_decoys.pdbqt | data/8A/8A46-L5F/8A46-L5F_decoy_scores.csv |
8AR8-ADP | data/8A/8AR8-ADP/8AR8-ADP_ligand.pdbqt | data/8A/8AR8-ADP/8AR8-ADP_target.pdbqt | data/8A/8AR8-ADP/8AR8-ADP_decoys.pdbqt | data/8A/8AR8-ADP/8AR8-ADP_decoy_scores.csv |
8A32-KVA | data/8A/8A32-KVA/8A32-KVA_ligand.pdbqt | data/8A/8A32-KVA/8A32-KVA_target.pdbqt | data/8A/8A32-KVA/8A32-KVA_decoys.pdbqt | data/8A/8A32-KVA/8A32-KVA_decoy_scores.csv |
8AXZ-PPK | data/8A/8AXZ-PPK/8AXZ-PPK_ligand.pdbqt | data/8A/8AXZ-PPK/8AXZ-PPK_target.pdbqt | data/8A/8AXZ-PPK/8AXZ-PPK_decoys.pdbqt | data/8A/8AXZ-PPK/8AXZ-PPK_decoy_scores.csv |
8AGI-M0U | data/8A/8AGI-M0U/8AGI-M0U_ligand.pdbqt | data/8A/8AGI-M0U/8AGI-M0U_target.pdbqt | data/8A/8AGI-M0U/8AGI-M0U_decoys.pdbqt | data/8A/8AGI-M0U/8AGI-M0U_decoy_scores.csv |
8AOF-N4U | data/8A/8AOF-N4U/8AOF-N4U_ligand.pdbqt | data/8A/8AOF-N4U/8AOF-N4U_target.pdbqt | data/8A/8AOF-N4U/8AOF-N4U_decoys.pdbqt | data/8A/8AOF-N4U/8AOF-N4U_decoy_scores.csv |
8A0I-CNZ | data/8A/8A0I-CNZ/8A0I-CNZ_ligand.pdbqt | data/8A/8A0I-CNZ/8A0I-CNZ_target.pdbqt | data/8A/8A0I-CNZ/8A0I-CNZ_decoys.pdbqt | data/8A/8A0I-CNZ/8A0I-CNZ_decoy_scores.csv |
8A0O-KMC | data/8A/8A0O-KMC/8A0O-KMC_ligand.pdbqt | data/8A/8A0O-KMC/8A0O-KMC_target.pdbqt | data/8A/8A0O-KMC/8A0O-KMC_decoys.pdbqt | data/8A/8A0O-KMC/8A0O-KMC_decoy_scores.csv |
8AU9-FMN | data/8A/8AU9-FMN/8AU9-FMN_ligand.pdbqt | data/8A/8AU9-FMN/8AU9-FMN_target.pdbqt | data/8A/8AU9-FMN/8AU9-FMN_decoys.pdbqt | data/8A/8AU9-FMN/8AU9-FMN_decoy_scores.csv |
8AUQ-FMN | data/8A/8AUQ-FMN/8AUQ-FMN_ligand.pdbqt | data/8A/8AUQ-FMN/8AUQ-FMN_target.pdbqt | data/8A/8AUQ-FMN/8AUQ-FMN_decoys.pdbqt | data/8A/8AUQ-FMN/8AUQ-FMN_decoy_scores.csv |
8AHE-M2U | data/8A/8AHE-M2U/8AHE-M2U_ligand.pdbqt | data/8A/8AHE-M2U/8AHE-M2U_target.pdbqt | data/8A/8AHE-M2U/8AHE-M2U_decoys.pdbqt | data/8A/8AHE-M2U/8AHE-M2U_decoy_scores.csv |
8A7N-L9E | data/8A/8A7N-L9E/8A7N-L9E_ligand.pdbqt | data/8A/8A7N-L9E/8A7N-L9E_target.pdbqt | data/8A/8A7N-L9E/8A7N-L9E_decoys.pdbqt | data/8A/8A7N-L9E/8A7N-L9E_decoy_scores.csv |
8AEK-LVL | data/8A/8AEK-LVL/8AEK-LVL_ligand.pdbqt | data/8A/8AEK-LVL/8AEK-LVL_target.pdbqt | data/8A/8AEK-LVL/8AEK-LVL_decoys.pdbqt | data/8A/8AEK-LVL/8AEK-LVL_decoy_scores.csv |
8AKK-HIW | data/8A/8AKK-HIW/8AKK-HIW_ligand.pdbqt | data/8A/8AKK-HIW/8AKK-HIW_target.pdbqt | data/8A/8AKK-HIW/8AKK-HIW_decoys.pdbqt | data/8A/8AKK-HIW/8AKK-HIW_decoy_scores.csv |
8AUO-O8R | data/8A/8AUO-O8R/8AUO-O8R_ligand.pdbqt | data/8A/8AUO-O8R/8AUO-O8R_target.pdbqt | data/8A/8AUO-O8R/8AUO-O8R_decoys.pdbqt | data/8A/8AUO-O8R/8AUO-O8R_decoy_scores.csv |
8ABV-LJU | data/8A/8ABV-LJU/8ABV-LJU_ligand.pdbqt | data/8A/8ABV-LJU/8ABV-LJU_target.pdbqt | data/8A/8ABV-LJU/8ABV-LJU_decoys.pdbqt | data/8A/8ABV-LJU/8ABV-LJU_decoy_scores.csv |
8A56-PAP | data/8A/8A56-PAP/8A56-PAP_ligand.pdbqt | data/8A/8A56-PAP/8A56-PAP_target.pdbqt | data/8A/8A56-PAP/8A56-PAP_decoys.pdbqt | data/8A/8A56-PAP/8A56-PAP_decoy_scores.csv |
8ABK-LMT | data/8A/8ABK-LMT/8ABK-LMT_ligand.pdbqt | data/8A/8ABK-LMT/8ABK-LMT_target.pdbqt | data/8A/8ABK-LMT/8ABK-LMT_decoys.pdbqt | data/8A/8ABK-LMT/8ABK-LMT_decoy_scores.csv |
8A1Q-WBV | data/8A/8A1Q-WBV/8A1Q-WBV_ligand.pdbqt | data/8A/8A1Q-WBV/8A1Q-WBV_target.pdbqt | data/8A/8A1Q-WBV/8A1Q-WBV_decoys.pdbqt | data/8A/8A1Q-WBV/8A1Q-WBV_decoy_scores.csv |
8AUQ-O8I | data/8A/8AUQ-O8I/8AUQ-O8I_ligand.pdbqt | data/8A/8AUQ-O8I/8AUQ-O8I_target.pdbqt | data/8A/8AUQ-O8I/8AUQ-O8I_decoys.pdbqt | data/8A/8AUQ-O8I/8AUQ-O8I_decoy_scores.csv |
8AO9-N4F | data/8A/8AO9-N4F/8AO9-N4F_ligand.pdbqt | data/8A/8AO9-N4F/8AO9-N4F_target.pdbqt | data/8A/8AO9-N4F/8AO9-N4F_decoys.pdbqt | data/8A/8AO9-N4F/8AO9-N4F_decoy_scores.csv |
8A9T-GDP | data/8A/8A9T-GDP/8A9T-GDP_ligand.pdbqt | data/8A/8A9T-GDP/8A9T-GDP_target.pdbqt | data/8A/8A9T-GDP/8A9T-GDP_decoys.pdbqt | data/8A/8A9T-GDP/8A9T-GDP_decoy_scores.csv |
8AAU-LH0 | data/8A/8AAU-LH0/8AAU-LH0_ligand.pdbqt | data/8A/8AAU-LH0/8AAU-LH0_target.pdbqt | data/8A/8AAU-LH0/8AAU-LH0_decoys.pdbqt | data/8A/8AAU-LH0/8AAU-LH0_decoy_scores.csv |
8AUL-O8R | data/8A/8AUL-O8R/8AUL-O8R_ligand.pdbqt | data/8A/8AUL-O8R/8AUL-O8R_target.pdbqt | data/8A/8AUL-O8R/8AUL-O8R_decoys.pdbqt | data/8A/8AUL-O8R/8AUL-O8R_decoy_scores.csv |
8AJJ-HIS | data/8A/8AJJ-HIS/8AJJ-HIS_ligand.pdbqt | data/8A/8AJJ-HIS/8AJJ-HIS_target.pdbqt | data/8A/8AJJ-HIS/8AJJ-HIS_decoys.pdbqt | data/8A/8AJJ-HIS/8AJJ-HIS_decoy_scores.csv |
8AUN-FMN | data/8A/8AUN-FMN/8AUN-FMN_ligand.pdbqt | data/8A/8AUN-FMN/8AUN-FMN_target.pdbqt | data/8A/8AUN-FMN/8AUN-FMN_decoys.pdbqt | data/8A/8AUN-FMN/8AUN-FMN_decoy_scores.csv |
8AYJ-OCF | data/8A/8AYJ-OCF/8AYJ-OCF_ligand.pdbqt | data/8A/8AYJ-OCF/8AYJ-OCF_target.pdbqt | data/8A/8AYJ-OCF/8AYJ-OCF_decoys.pdbqt | data/8A/8AYJ-OCF/8AYJ-OCF_decoy_scores.csv |
8AO4-N8U | data/8A/8AO4-N8U/8AO4-N8U_ligand.pdbqt | data/8A/8AO4-N8U/8AO4-N8U_target.pdbqt | data/8A/8AO4-N8U/8AO4-N8U_decoys.pdbqt | data/8A/8AO4-N8U/8AO4-N8U_decoy_scores.csv |
8AUM-FMN | data/8A/8AUM-FMN/8AUM-FMN_ligand.pdbqt | data/8A/8AUM-FMN/8AUM-FMN_target.pdbqt | data/8A/8AUM-FMN/8AUM-FMN_decoys.pdbqt | data/8A/8AUM-FMN/8AUM-FMN_decoy_scores.csv |
8AT8-HT9 | data/8A/8AT8-HT9/8AT8-HT9_ligand.pdbqt | data/8A/8AT8-HT9/8AT8-HT9_target.pdbqt | data/8A/8AT8-HT9/8AT8-HT9_decoys.pdbqt | data/8A/8AT8-HT9/8AT8-HT9_decoy_scores.csv |
8A0P-MRI | data/8A/8A0P-MRI/8A0P-MRI_ligand.pdbqt | data/8A/8A0P-MRI/8A0P-MRI_target.pdbqt | data/8A/8A0P-MRI/8A0P-MRI_decoys.pdbqt | data/8A/8A0P-MRI/8A0P-MRI_decoy_scores.csv |
8A9G-QJK | data/8A/8A9G-QJK/8A9G-QJK_ligand.pdbqt | data/8A/8A9G-QJK/8A9G-QJK_target.pdbqt | data/8A/8A9G-QJK/8A9G-QJK_decoys.pdbqt | data/8A/8A9G-QJK/8A9G-QJK_decoy_scores.csv |
8AHM-GTP | data/8A/8AHM-GTP/8AHM-GTP_ligand.pdbqt | data/8A/8AHM-GTP/8AHM-GTP_target.pdbqt | data/8A/8AHM-GTP/8AHM-GTP_decoys.pdbqt | data/8A/8AHM-GTP/8AHM-GTP_decoy_scores.csv |
8A76-L82 | data/8A/8A76-L82/8A76-L82_ligand.pdbqt | data/8A/8A76-L82/8A76-L82_target.pdbqt | data/8A/8A76-L82/8A76-L82_decoys.pdbqt | data/8A/8A76-L82/8A76-L82_decoy_scores.csv |
8ABF-XP4 | data/8A/8ABF-XP4/8ABF-XP4_ligand.pdbqt | data/8A/8ABF-XP4/8ABF-XP4_target.pdbqt | data/8A/8ABF-XP4/8ABF-XP4_decoys.pdbqt | data/8A/8ABF-XP4/8ABF-XP4_decoy_scores.csv |
8AG2-M1I | data/8A/8AG2-M1I/8AG2-M1I_ligand.pdbqt | data/8A/8AG2-M1I/8AG2-M1I_target.pdbqt | data/8A/8AG2-M1I/8AG2-M1I_decoys.pdbqt | data/8A/8AG2-M1I/8AG2-M1I_decoy_scores.csv |
8A0H-ECH | data/8A/8A0H-ECH/8A0H-ECH_ligand.pdbqt | data/8A/8A0H-ECH/8A0H-ECH_target.pdbqt | data/8A/8A0H-ECH/8A0H-ECH_decoys.pdbqt | data/8A/8A0H-ECH/8A0H-ECH_decoy_scores.csv |
8AO7-N3X | data/8A/8AO7-N3X/8AO7-N3X_ligand.pdbqt | data/8A/8AO7-N3X/8AO7-N3X_target.pdbqt | data/8A/8AO7-N3X/8AO7-N3X_decoys.pdbqt | data/8A/8AO7-N3X/8AO7-N3X_decoy_scores.csv |
8AY7-S5N | data/8A/8AY7-S5N/8AY7-S5N_ligand.pdbqt | data/8A/8AY7-S5N/8AY7-S5N_target.pdbqt | data/8A/8AY7-S5N/8AY7-S5N_decoys.pdbqt | data/8A/8AY7-S5N/8AY7-S5N_decoy_scores.csv |
8AKL-O2F | data/8A/8AKL-O2F/8AKL-O2F_ligand.pdbqt | data/8A/8AKL-O2F/8AKL-O2F_target.pdbqt | data/8A/8AKL-O2F/8AKL-O2F_decoys.pdbqt | data/8A/8AKL-O2F/8AKL-O2F_decoy_scores.csv |
8ABG-LMT | data/8A/8ABG-LMT/8ABG-LMT_ligand.pdbqt | data/8A/8ABG-LMT/8ABG-LMT_target.pdbqt | data/8A/8ABG-LMT/8ABG-LMT_decoys.pdbqt | data/8A/8ABG-LMT/8ABG-LMT_decoy_scores.csv |
8AHM-GDP | data/8A/8AHM-GDP/8AHM-GDP_ligand.pdbqt | data/8A/8AHM-GDP/8AHM-GDP_target.pdbqt | data/8A/8AHM-GDP/8AHM-GDP_decoys.pdbqt | data/8A/8AHM-GDP/8AHM-GDP_decoy_scores.csv |
8ACL-LQL | data/8A/8ACL-LQL/8ACL-LQL_ligand.pdbqt | data/8A/8ACL-LQL/8ACL-LQL_target.pdbqt | data/8A/8ACL-LQL/8ACL-LQL_decoys.pdbqt | data/8A/8ACL-LQL/8ACL-LQL_decoy_scores.csv |
8AQM-O2O | data/8A/8AQM-O2O/8AQM-O2O_ligand.pdbqt | data/8A/8AQM-O2O/8AQM-O2O_target.pdbqt | data/8A/8AQM-O2O/8AQM-O2O_decoys.pdbqt | data/8A/8AQM-O2O/8AQM-O2O_decoy_scores.csv |
8AB6-XP4 | data/8A/8AB6-XP4/8AB6-XP4_ligand.pdbqt | data/8A/8AB6-XP4/8AB6-XP4_target.pdbqt | data/8A/8AB6-XP4/8AB6-XP4_decoys.pdbqt | data/8A/8AB6-XP4/8AB6-XP4_decoy_scores.csv |
8ABT-STL | data/8A/8ABT-STL/8ABT-STL_ligand.pdbqt | data/8A/8ABT-STL/8ABT-STL_target.pdbqt | data/8A/8ABT-STL/8ABT-STL_decoys.pdbqt | data/8A/8ABT-STL/8ABT-STL_decoy_scores.csv |
8AJX-FMN | data/8A/8AJX-FMN/8AJX-FMN_ligand.pdbqt | data/8A/8AJX-FMN/8AJX-FMN_target.pdbqt | data/8A/8AJX-FMN/8AJX-FMN_decoys.pdbqt | data/8A/8AJX-FMN/8AJX-FMN_decoy_scores.csv |
8A4Y-QO6 | data/8A/8A4Y-QO6/8A4Y-QO6_ligand.pdbqt | data/8A/8A4Y-QO6/8A4Y-QO6_target.pdbqt | data/8A/8A4Y-QO6/8A4Y-QO6_decoys.pdbqt | data/8A/8A4Y-QO6/8A4Y-QO6_decoy_scores.csv |
8AXZ-SAM | data/8A/8AXZ-SAM/8AXZ-SAM_ligand.pdbqt | data/8A/8AXZ-SAM/8AXZ-SAM_target.pdbqt | data/8A/8AXZ-SAM/8AXZ-SAM_decoys.pdbqt | data/8A/8AXZ-SAM/8AXZ-SAM_decoy_scores.csv |
8AUA-FMN | data/8A/8AUA-FMN/8AUA-FMN_ligand.pdbqt | data/8A/8AUA-FMN/8AUA-FMN_target.pdbqt | data/8A/8AUA-FMN/8AUA-FMN_decoys.pdbqt | data/8A/8AUA-FMN/8AUA-FMN_decoy_scores.csv |
8AGL-M0U | data/8A/8AGL-M0U/8AGL-M0U_ligand.pdbqt | data/8A/8AGL-M0U/8AGL-M0U_target.pdbqt | data/8A/8AGL-M0U/8AGL-M0U_decoys.pdbqt | data/8A/8AGL-M0U/8AGL-M0U_decoy_scores.csv |
8AUH-FMN | data/8A/8AUH-FMN/8AUH-FMN_ligand.pdbqt | data/8A/8AUH-FMN/8AUH-FMN_target.pdbqt | data/8A/8AUH-FMN/8AUH-FMN_decoys.pdbqt | data/8A/8AUH-FMN/8AUH-FMN_decoy_scores.csv |
8ABV-LJL | data/8A/8ABV-LJL/8ABV-LJL_ligand.pdbqt | data/8A/8ABV-LJL/8ABV-LJL_target.pdbqt | data/8A/8ABV-LJL/8ABV-LJL_decoys.pdbqt | data/8A/8ABV-LJL/8ABV-LJL_decoy_scores.csv |
8AEK-ATP | data/8A/8AEK-ATP/8AEK-ATP_ligand.pdbqt | data/8A/8AEK-ATP/8AEK-ATP_target.pdbqt | data/8A/8AEK-ATP/8AEK-ATP_decoys.pdbqt | data/8A/8AEK-ATP/8AEK-ATP_decoy_scores.csv |
8A9Z-LO9 | data/8A/8A9Z-LO9/8A9Z-LO9_ligand.pdbqt | data/8A/8A9Z-LO9/8A9Z-LO9_target.pdbqt | data/8A/8A9Z-LO9/8A9Z-LO9_decoys.pdbqt | data/8A/8A9Z-LO9/8A9Z-LO9_decoy_scores.csv |
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