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 ⌀ |
|---|---|---|---|---|
4A4X-JUP | data/4A/4A4X-JUP/4A4X-JUP_ligand.pdbqt | data/4A/4A4X-JUP/4A4X-JUP_target.pdbqt | data/4A/4A4X-JUP/4A4X-JUP_decoys.pdbqt | data/4A/4A4X-JUP/4A4X-JUP_decoy_scores.csv |
4A7X-UDP | data/4A/4A7X-UDP/4A7X-UDP_ligand.pdbqt | data/4A/4A7X-UDP/4A7X-UDP_target.pdbqt | data/4A/4A7X-UDP/4A7X-UDP_decoys.pdbqt | data/4A/4A7X-UDP/4A7X-UDP_decoy_scores.csv |
4A03-F98 | data/4A/4A03-F98/4A03-F98_ligand.pdbqt | data/4A/4A03-F98/4A03-F98_target.pdbqt | data/4A/4A03-F98/4A03-F98_decoys.pdbqt | data/4A/4A03-F98/4A03-F98_decoy_scores.csv |
4ARV-P15 | data/4A/4ARV-P15/4ARV-P15_ligand.pdbqt | data/4A/4ARV-P15/4ARV-P15_target.pdbqt | data/4A/4ARV-P15/4ARV-P15_decoys.pdbqt | data/4A/4ARV-P15/4ARV-P15_decoy_scores.csv |
4AZS-SAM | data/4A/4AZS-SAM/4AZS-SAM_ligand.pdbqt | data/4A/4AZS-SAM/4AZS-SAM_target.pdbqt | data/4A/4AZS-SAM/4AZS-SAM_decoys.pdbqt | data/4A/4AZS-SAM/4AZS-SAM_decoy_scores.csv |
4AP9-1PS | data/4A/4AP9-1PS/4AP9-1PS_ligand.pdbqt | data/4A/4AP9-1PS/4AP9-1PS_target.pdbqt | data/4A/4AP9-1PS/4AP9-1PS_decoys.pdbqt | data/4A/4AP9-1PS/4AP9-1PS_decoy_scores.csv |
4A6K-I4D | data/4A/4A6K-I4D/4A6K-I4D_ligand.pdbqt | data/4A/4A6K-I4D/4A6K-I4D_target.pdbqt | data/4A/4A6K-I4D/4A6K-I4D_decoys.pdbqt | data/4A/4A6K-I4D/4A6K-I4D_decoy_scores.csv |
4A79-P1B | data/4A/4A79-P1B/4A79-P1B_ligand.pdbqt | data/4A/4A79-P1B/4A79-P1B_target.pdbqt | data/4A/4A79-P1B/4A79-P1B_decoys.pdbqt | data/4A/4A79-P1B/4A79-P1B_decoy_scores.csv |
4AN2-EUI | data/4A/4AN2-EUI/4AN2-EUI_ligand.pdbqt | data/4A/4AN2-EUI/4AN2-EUI_target.pdbqt | data/4A/4AN2-EUI/4AN2-EUI_decoys.pdbqt | data/4A/4AN2-EUI/4AN2-EUI_decoy_scores.csv |
4A9Y-AQZ | data/4A/4A9Y-AQZ/4A9Y-AQZ_ligand.pdbqt | data/4A/4A9Y-AQZ/4A9Y-AQZ_target.pdbqt | data/4A/4A9Y-AQZ/4A9Y-AQZ_decoys.pdbqt | data/4A/4A9Y-AQZ/4A9Y-AQZ_decoy_scores.csv |
4AJE-2B4 | data/4A/4AJE-2B4/4AJE-2B4_ligand.pdbqt | data/4A/4AJE-2B4/4AJE-2B4_target.pdbqt | data/4A/4AJE-2B4/4AJE-2B4_decoys.pdbqt | data/4A/4AJE-2B4/4AJE-2B4_decoy_scores.csv |
4ALX-IZN | data/4A/4ALX-IZN/4ALX-IZN_ligand.pdbqt | data/4A/4ALX-IZN/4ALX-IZN_target.pdbqt | data/4A/4ALX-IZN/4ALX-IZN_decoys.pdbqt | data/4A/4ALX-IZN/4ALX-IZN_decoy_scores.csv |
4AON-GLU | data/4A/4AON-GLU/4AON-GLU_ligand.pdbqt | data/4A/4AON-GLU/4AON-GLU_target.pdbqt | data/4A/4AON-GLU/4AON-GLU_decoys.pdbqt | data/4A/4AON-GLU/4AON-GLU_decoy_scores.csv |
4A9M-P9M | data/4A/4A9M-P9M/4A9M-P9M_ligand.pdbqt | data/4A/4A9M-P9M/4A9M-P9M_target.pdbqt | data/4A/4A9M-P9M/4A9M-P9M_decoys.pdbqt | data/4A/4A9M-P9M/4A9M-P9M_decoy_scores.csv |
4A4V-YFD | data/4A/4A4V-YFD/4A4V-YFD_ligand.pdbqt | data/4A/4A4V-YFD/4A4V-YFD_target.pdbqt | data/4A/4A4V-YFD/4A4V-YFD_decoys.pdbqt | data/4A/4A4V-YFD/4A4V-YFD_decoy_scores.csv |
4A7B-3W4 | data/4A/4A7B-3W4/4A7B-3W4_ligand.pdbqt | data/4A/4A7B-3W4/4A7B-3W4_target.pdbqt | data/4A/4A7B-3W4/4A7B-3W4_decoys.pdbqt | data/4A/4A7B-3W4/4A7B-3W4_decoy_scores.csv |
4AP7-F47 | data/4A/4AP7-F47/4AP7-F47_ligand.pdbqt | data/4A/4AP7-F47/4AP7-F47_target.pdbqt | data/4A/4AP7-F47/4AP7-F47_decoys.pdbqt | data/4A/4AP7-F47/4AP7-F47_decoy_scores.csv |
4AAW-R84 | data/4A/4AAW-R84/4AAW-R84_ligand.pdbqt | data/4A/4AAW-R84/4AAW-R84_target.pdbqt | data/4A/4AAW-R84/4AAW-R84_decoys.pdbqt | data/4A/4AAW-R84/4AAW-R84_decoy_scores.csv |
4ANV-751 | data/4A/4ANV-751/4ANV-751_ligand.pdbqt | data/4A/4ANV-751/4ANV-751_target.pdbqt | data/4A/4ANV-751/4ANV-751_decoys.pdbqt | data/4A/4ANV-751/4ANV-751_decoy_scores.csv |
4AMX-5GF | data/4A/4AMX-5GF/4AMX-5GF_ligand.pdbqt | data/4A/4AMX-5GF/4AMX-5GF_target.pdbqt | data/4A/4AMX-5GF/4AMX-5GF_decoys.pdbqt | data/4A/4AMX-5GF/4AMX-5GF_decoy_scores.csv |
4ADD-SUO | data/4A/4ADD-SUO/4ADD-SUO_ligand.pdbqt | data/4A/4ADD-SUO/4ADD-SUO_target.pdbqt | data/4A/4ADD-SUO/4ADD-SUO_decoys.pdbqt | data/4A/4ADD-SUO/4ADD-SUO_decoy_scores.csv |
4AWH-U5P | data/4A/4AWH-U5P/4AWH-U5P_ligand.pdbqt | data/4A/4AWH-U5P/4AWH-U5P_target.pdbqt | data/4A/4AWH-U5P/4AWH-U5P_decoys.pdbqt | data/4A/4AWH-U5P/4AWH-U5P_decoy_scores.csv |
4AFF-FLC | data/4A/4AFF-FLC/4AFF-FLC_ligand.pdbqt | data/4A/4AFF-FLC/4AFF-FLC_target.pdbqt | data/4A/4AFF-FLC/4AFF-FLC_decoys.pdbqt | data/4A/4AFF-FLC/4AFF-FLC_decoy_scores.csv |
4ABK-AR6 | data/4A/4ABK-AR6/4ABK-AR6_ligand.pdbqt | data/4A/4ABK-AR6/4ABK-AR6_target.pdbqt | data/4A/4ABK-AR6/4ABK-AR6_decoys.pdbqt | data/4A/4ABK-AR6/4ABK-AR6_decoy_scores.csv |
4APU-A2K | data/4A/4APU-A2K/4APU-A2K_ligand.pdbqt | data/4A/4APU-A2K/4APU-A2K_target.pdbqt | data/4A/4APU-A2K/4APU-A2K_decoys.pdbqt | data/4A/4APU-A2K/4APU-A2K_decoy_scores.csv |
4AA0-AA0 | data/4A/4AA0-AA0/4AA0-AA0_ligand.pdbqt | data/4A/4AA0-AA0/4AA0-AA0_target.pdbqt | data/4A/4AA0-AA0/4AA0-AA0_decoys.pdbqt | data/4A/4AA0-AA0/4AA0-AA0_decoy_scores.csv |
4AIC-FOM | data/4A/4AIC-FOM/4AIC-FOM_ligand.pdbqt | data/4A/4AIC-FOM/4AIC-FOM_target.pdbqt | data/4A/4AIC-FOM/4AIC-FOM_decoys.pdbqt | data/4A/4AIC-FOM/4AIC-FOM_decoy_scores.csv |
4ASG-814 | data/4A/4ASG-814/4ASG-814_ligand.pdbqt | data/4A/4ASG-814/4ASG-814_target.pdbqt | data/4A/4ASG-814/4ASG-814_decoys.pdbqt | data/4A/4ASG-814/4ASG-814_decoy_scores.csv |
4A32-2CD | data/4A/4A32-2CD/4A32-2CD_ligand.pdbqt | data/4A/4A32-2CD/4A32-2CD_target.pdbqt | data/4A/4A32-2CD/4A32-2CD_decoys.pdbqt | data/4A/4A32-2CD/4A32-2CD_decoy_scores.csv |
4AEO-FMN | data/4A/4AEO-FMN/4AEO-FMN_ligand.pdbqt | data/4A/4AEO-FMN/4AEO-FMN_target.pdbqt | data/4A/4AEO-FMN/4AEO-FMN_decoys.pdbqt | data/4A/4AEO-FMN/4AEO-FMN_decoy_scores.csv |
4AS3-BTB | data/4A/4AS3-BTB/4AS3-BTB_ligand.pdbqt | data/4A/4AS3-BTB/4AS3-BTB_target.pdbqt | data/4A/4AS3-BTB/4AS3-BTB_decoys.pdbqt | data/4A/4AS3-BTB/4AS3-BTB_decoy_scores.csv |
4AGN-NXG | data/4A/4AGN-NXG/4AGN-NXG_ligand.pdbqt | data/4A/4AGN-NXG/4AGN-NXG_target.pdbqt | data/4A/4AGN-NXG/4AGN-NXG_decoys.pdbqt | data/4A/4AGN-NXG/4AGN-NXG_decoy_scores.csv |
4AVW-G18 | data/4A/4AVW-G18/4AVW-G18_ligand.pdbqt | data/4A/4AVW-G18/4AVW-G18_target.pdbqt | data/4A/4AVW-G18/4AVW-G18_decoys.pdbqt | data/4A/4AVW-G18/4AVW-G18_decoy_scores.csv |
4AXE-ADP | data/4A/4AXE-ADP/4AXE-ADP_ligand.pdbqt | data/4A/4AXE-ADP/4AXE-ADP_target.pdbqt | data/4A/4AXE-ADP/4AXE-ADP_decoys.pdbqt | data/4A/4AXE-ADP/4AXE-ADP_decoy_scores.csv |
4AV5-FYZ | data/4A/4AV5-FYZ/4AV5-FYZ_ligand.pdbqt | data/4A/4AV5-FYZ/4AV5-FYZ_target.pdbqt | data/4A/4AV5-FYZ/4AV5-FYZ_decoys.pdbqt | data/4A/4AV5-FYZ/4AV5-FYZ_decoy_scores.csv |
4AJS-NMN | data/4A/4AJS-NMN/4AJS-NMN_ligand.pdbqt | data/4A/4AJS-NMN/4AJS-NMN_target.pdbqt | data/4A/4AJS-NMN/4AJS-NMN_decoys.pdbqt | data/4A/4AJS-NMN/4AJS-NMN_decoy_scores.csv |
4AG5-ADP | data/4A/4AG5-ADP/4AG5-ADP_ligand.pdbqt | data/4A/4AG5-ADP/4AG5-ADP_target.pdbqt | data/4A/4AG5-ADP/4AG5-ADP_decoys.pdbqt | data/4A/4AG5-ADP/4AG5-ADP_decoy_scores.csv |
4ASY-N5Y | data/4A/4ASY-N5Y/4ASY-N5Y_ligand.pdbqt | data/4A/4ASY-N5Y/4ASY-N5Y_target.pdbqt | data/4A/4ASY-N5Y/4ASY-N5Y_decoys.pdbqt | data/4A/4ASY-N5Y/4ASY-N5Y_decoy_scores.csv |
4ABQ-4V2 | data/4A/4ABQ-4V2/4ABQ-4V2_ligand.pdbqt | data/4A/4ABQ-4V2/4ABQ-4V2_target.pdbqt | data/4A/4ABQ-4V2/4ABQ-4V2_decoys.pdbqt | data/4A/4ABQ-4V2/4ABQ-4V2_decoy_scores.csv |
4AMJ-CVD | data/4A/4AMJ-CVD/4AMJ-CVD_ligand.pdbqt | data/4A/4AMJ-CVD/4AMJ-CVD_target.pdbqt | data/4A/4AMJ-CVD/4AMJ-CVD_decoys.pdbqt | data/4A/4AMJ-CVD/4AMJ-CVD_decoy_scores.csv |
4AT2-ASD | data/4A/4AT2-ASD/4AT2-ASD_ligand.pdbqt | data/4A/4AT2-ASD/4AT2-ASD_target.pdbqt | data/4A/4AT2-ASD/4AT2-ASD_decoys.pdbqt | data/4A/4AT2-ASD/4AT2-ASD_decoy_scores.csv |
4A6F-SEP | data/4A/4A6F-SEP/4A6F-SEP_ligand.pdbqt | data/4A/4A6F-SEP/4A6F-SEP_target.pdbqt | data/4A/4A6F-SEP/4A6F-SEP_decoys.pdbqt | data/4A/4A6F-SEP/4A6F-SEP_decoy_scores.csv |
4AVB-CMP | data/4A/4AVB-CMP/4AVB-CMP_ligand.pdbqt | data/4A/4AVB-CMP/4AVB-CMP_target.pdbqt | data/4A/4AVB-CMP/4AVB-CMP_decoys.pdbqt | data/4A/4AVB-CMP/4AVB-CMP_decoy_scores.csv |
4AJ4-VAB | data/4A/4AJ4-VAB/4AJ4-VAB_ligand.pdbqt | data/4A/4AJ4-VAB/4AJ4-VAB_target.pdbqt | data/4A/4AJ4-VAB/4AJ4-VAB_decoys.pdbqt | data/4A/4AJ4-VAB/4AJ4-VAB_decoy_scores.csv |
4AS7-ADP | data/4A/4AS7-ADP/4AS7-ADP_ligand.pdbqt | data/4A/4AS7-ADP/4AS7-ADP_target.pdbqt | data/4A/4AS7-ADP/4AS7-ADP_decoys.pdbqt | data/4A/4AS7-ADP/4AS7-ADP_decoy_scores.csv |
4AM8-GLN | data/4A/4AM8-GLN/4AM8-GLN_ligand.pdbqt | data/4A/4AM8-GLN/4AM8-GLN_target.pdbqt | data/4A/4AM8-GLN/4AM8-GLN_decoys.pdbqt | data/4A/4AM8-GLN/4AM8-GLN_decoy_scores.csv |
4A33-PS8 | data/4A/4A33-PS8/4A33-PS8_ligand.pdbqt | data/4A/4A33-PS8/4A33-PS8_target.pdbqt | data/4A/4A33-PS8/4A33-PS8_decoys.pdbqt | data/4A/4A33-PS8/4A33-PS8_decoy_scores.csv |
4A9O-A9O | data/4A/4A9O-A9O/4A9O-A9O_ligand.pdbqt | data/4A/4A9O-A9O/4A9O-A9O_target.pdbqt | data/4A/4A9O-A9O/4A9O-A9O_decoys.pdbqt | data/4A/4A9O-A9O/4A9O-A9O_decoy_scores.csv |
4A4L-939 | data/4A/4A4L-939/4A4L-939_ligand.pdbqt | data/4A/4A4L-939/4A4L-939_target.pdbqt | data/4A/4A4L-939/4A4L-939_decoys.pdbqt | data/4A/4A4L-939/4A4L-939_decoy_scores.csv |
4AN3-ATP | data/4A/4AN3-ATP/4AN3-ATP_ligand.pdbqt | data/4A/4AN3-ATP/4AN3-ATP_target.pdbqt | data/4A/4AN3-ATP/4AN3-ATP_decoys.pdbqt | data/4A/4AN3-ATP/4AN3-ATP_decoy_scores.csv |
4ACF-46B | data/4A/4ACF-46B/4ACF-46B_ligand.pdbqt | data/4A/4ACF-46B/4ACF-46B_target.pdbqt | data/4A/4ACF-46B/4ACF-46B_decoys.pdbqt | data/4A/4ACF-46B/4ACF-46B_decoy_scores.csv |
4ABU-FT1 | data/4A/4ABU-FT1/4ABU-FT1_ligand.pdbqt | data/4A/4ABU-FT1/4ABU-FT1_target.pdbqt | data/4A/4ABU-FT1/4ABU-FT1_decoys.pdbqt | data/4A/4ABU-FT1/4ABU-FT1_decoy_scores.csv |
4ANB-ACP | data/4A/4ANB-ACP/4ANB-ACP_ligand.pdbqt | data/4A/4ANB-ACP/4ANB-ACP_target.pdbqt | data/4A/4ANB-ACP/4ANB-ACP_decoys.pdbqt | data/4A/4ANB-ACP/4ANB-ACP_decoy_scores.csv |
4AGQ-P96 | data/4A/4AGQ-P96/4AGQ-P96_ligand.pdbqt | data/4A/4AGQ-P96/4AGQ-P96_target.pdbqt | data/4A/4AGQ-P96/4AGQ-P96_decoys.pdbqt | data/4A/4AGQ-P96/4AGQ-P96_decoy_scores.csv |
4AO5-UMP | data/4A/4AO5-UMP/4AO5-UMP_ligand.pdbqt | data/4A/4AO5-UMP/4AO5-UMP_target.pdbqt | data/4A/4AO5-UMP/4AO5-UMP_decoys.pdbqt | data/4A/4AO5-UMP/4AO5-UMP_decoy_scores.csv |
4ANB-YQY | data/4A/4ANB-YQY/4ANB-YQY_ligand.pdbqt | data/4A/4ANB-YQY/4ANB-YQY_target.pdbqt | data/4A/4ANB-YQY/4ANB-YQY_decoys.pdbqt | data/4A/4ANB-YQY/4ANB-YQY_decoy_scores.csv |
4ASX-6OJ | data/4A/4ASX-6OJ/4ASX-6OJ_ligand.pdbqt | data/4A/4ASX-6OJ/4ASX-6OJ_target.pdbqt | data/4A/4ASX-6OJ/4ASX-6OJ_decoys.pdbqt | data/4A/4ASX-6OJ/4ASX-6OJ_decoy_scores.csv |
4AGM-P86 | data/4A/4AGM-P86/4AGM-P86_ligand.pdbqt | data/4A/4AGM-P86/4AGM-P86_target.pdbqt | data/4A/4AGM-P86/4AGM-P86_decoys.pdbqt | data/4A/4AGM-P86/4AGM-P86_decoy_scores.csv |
4AJO-88N | data/4A/4AJO-88N/4AJO-88N_ligand.pdbqt | data/4A/4AJO-88N/4AJO-88N_target.pdbqt | data/4A/4AJO-88N/4AJO-88N_decoys.pdbqt | data/4A/4AJO-88N/4AJO-88N_decoy_scores.csv |
4A00-PP3 | data/4A/4A00-PP3/4A00-PP3_ligand.pdbqt | data/4A/4A00-PP3/4A00-PP3_target.pdbqt | data/4A/4A00-PP3/4A00-PP3_decoys.pdbqt | data/4A/4A00-PP3/4A00-PP3_decoy_scores.csv |
4AD6-GSY | data/4A/4AD6-GSY/4AD6-GSY_ligand.pdbqt | data/4A/4AD6-GSY/4AD6-GSY_target.pdbqt | data/4A/4AD6-GSY/4AD6-GSY_decoys.pdbqt | data/4A/4AD6-GSY/4AD6-GSY_decoy_scores.csv |
4AFK-78N | data/4A/4AFK-78N/4AFK-78N_ligand.pdbqt | data/4A/4AFK-78N/4AFK-78N_target.pdbqt | data/4A/4AFK-78N/4AFK-78N_decoys.pdbqt | data/4A/4AFK-78N/4AFK-78N_decoy_scores.csv |
4A6V-IKY | data/4A/4A6V-IKY/4A6V-IKY_ligand.pdbqt | data/4A/4A6V-IKY/4A6V-IKY_target.pdbqt | data/4A/4A6V-IKY/4A6V-IKY_decoys.pdbqt | data/4A/4A6V-IKY/4A6V-IKY_decoy_scores.csv |
4AOZ-DUR | data/4A/4AOZ-DUR/4AOZ-DUR_ligand.pdbqt | data/4A/4AOZ-DUR/4AOZ-DUR_target.pdbqt | data/4A/4AOZ-DUR/4AOZ-DUR_decoys.pdbqt | data/4A/4AOZ-DUR/4AOZ-DUR_decoy_scores.csv |
4AZP-A9M | data/4A/4AZP-A9M/4AZP-A9M_ligand.pdbqt | data/4A/4AZP-A9M/4AZP-A9M_target.pdbqt | data/4A/4AZP-A9M/4AZP-A9M_decoys.pdbqt | data/4A/4AZP-A9M/4AZP-A9M_decoy_scores.csv |
4APU-OR8 | data/4A/4APU-OR8/4APU-OR8_ligand.pdbqt | data/4A/4APU-OR8/4APU-OR8_target.pdbqt | data/4A/4APU-OR8/4APU-OR8_decoys.pdbqt | data/4A/4APU-OR8/4APU-OR8_decoy_scores.csv |
4A39-GEM | data/4A/4A39-GEM/4A39-GEM_ligand.pdbqt | data/4A/4A39-GEM/4A39-GEM_target.pdbqt | data/4A/4A39-GEM/4A39-GEM_decoys.pdbqt | data/4A/4A39-GEM/4A39-GEM_decoy_scores.csv |
4AYU-N8P | data/4A/4AYU-N8P/4AYU-N8P_ligand.pdbqt | data/4A/4AYU-N8P/4AYU-N8P_target.pdbqt | data/4A/4AYU-N8P/4AYU-N8P_decoys.pdbqt | data/4A/4AYU-N8P/4AYU-N8P_decoy_scores.csv |
4A8Z-PLM | data/4A/4A8Z-PLM/4A8Z-PLM_ligand.pdbqt | data/4A/4A8Z-PLM/4A8Z-PLM_target.pdbqt | data/4A/4A8Z-PLM/4A8Z-PLM_decoys.pdbqt | data/4A/4A8Z-PLM/4A8Z-PLM_decoy_scores.csv |
4ABD-SW2 | data/4A/4ABD-SW2/4ABD-SW2_ligand.pdbqt | data/4A/4ABD-SW2/4ABD-SW2_target.pdbqt | data/4A/4ABD-SW2/4ABD-SW2_decoys.pdbqt | data/4A/4ABD-SW2/4ABD-SW2_decoy_scores.csv |
4A59-AMP | data/4A/4A59-AMP/4A59-AMP_ligand.pdbqt | data/4A/4A59-AMP/4A59-AMP_target.pdbqt | data/4A/4A59-AMP/4A59-AMP_decoys.pdbqt | data/4A/4A59-AMP/4A59-AMP_decoy_scores.csv |
4A34-FUL | data/4A/4A34-FUL/4A34-FUL_ligand.pdbqt | data/4A/4A34-FUL/4A34-FUL_target.pdbqt | data/4A/4A34-FUL/4A34-FUL_decoys.pdbqt | data/4A/4A34-FUL/4A34-FUL_decoy_scores.csv |
4A99-MIY | data/4A/4A99-MIY/4A99-MIY_ligand.pdbqt | data/4A/4A99-MIY/4A99-MIY_target.pdbqt | data/4A/4A99-MIY/4A99-MIY_decoys.pdbqt | data/4A/4A99-MIY/4A99-MIY_decoy_scores.csv |
4A83-DXC | data/4A/4A83-DXC/4A83-DXC_ligand.pdbqt | data/4A/4A83-DXC/4A83-DXC_target.pdbqt | data/4A/4A83-DXC/4A83-DXC_decoys.pdbqt | data/4A/4A83-DXC/4A83-DXC_decoy_scores.csv |
4AL4-W7E | data/4A/4AL4-W7E/4AL4-W7E_ligand.pdbqt | data/4A/4AL4-W7E/4AL4-W7E_target.pdbqt | data/4A/4AL4-W7E/4AL4-W7E_decoys.pdbqt | data/4A/4AL4-W7E/4AL4-W7E_decoy_scores.csv |
4ALG-1GH | data/4A/4ALG-1GH/4ALG-1GH_ligand.pdbqt | data/4A/4ALG-1GH/4ALG-1GH_target.pdbqt | data/4A/4ALG-1GH/4ALG-1GH_decoys.pdbqt | data/4A/4ALG-1GH/4ALG-1GH_decoy_scores.csv |
6LG6-EC9 | data/6L/6LG6-EC9/6LG6-EC9_ligand.pdbqt | data/6L/6LG6-EC9/6LG6-EC9_target.pdbqt | data/6L/6LG6-EC9/6LG6-EC9_decoys.pdbqt | data/6L/6LG6-EC9/6LG6-EC9_decoy_scores.csv |
6LZL-FMN | data/6L/6LZL-FMN/6LZL-FMN_ligand.pdbqt | data/6L/6LZL-FMN/6LZL-FMN_target.pdbqt | data/6L/6LZL-FMN/6LZL-FMN_decoys.pdbqt | data/6L/6LZL-FMN/6LZL-FMN_decoy_scores.csv |
6L0P-E1U | data/6L/6L0P-E1U/6L0P-E1U_ligand.pdbqt | data/6L/6L0P-E1U/6L0P-E1U_target.pdbqt | data/6L/6L0P-E1U/6L0P-E1U_decoys.pdbqt | data/6L/6L0P-E1U/6L0P-E1U_decoy_scores.csv |
6LKR-B3P | data/6L/6LKR-B3P/6LKR-B3P_ligand.pdbqt | data/6L/6LKR-B3P/6LKR-B3P_target.pdbqt | data/6L/6LKR-B3P/6LKR-B3P_decoys.pdbqt | data/6L/6LKR-B3P/6LKR-B3P_decoy_scores.csv |
6LD4-G8O | data/6L/6LD4-G8O/6LD4-G8O_ligand.pdbqt | data/6L/6LD4-G8O/6LD4-G8O_target.pdbqt | data/6L/6LD4-G8O/6LD4-G8O_decoys.pdbqt | data/6L/6LD4-G8O/6LD4-G8O_decoy_scores.csv |
6LVK-EVC | data/6L/6LVK-EVC/6LVK-EVC_ligand.pdbqt | data/6L/6LVK-EVC/6LVK-EVC_target.pdbqt | data/6L/6LVK-EVC/6LVK-EVC_decoys.pdbqt | data/6L/6LVK-EVC/6LVK-EVC_decoy_scores.csv |
6LI0-OLC | data/6L/6LI0-OLC/6LI0-OLC_ligand.pdbqt | data/6L/6LI0-OLC/6LI0-OLC_target.pdbqt | data/6L/6LI0-OLC/6LI0-OLC_decoys.pdbqt | data/6L/6LI0-OLC/6LI0-OLC_decoy_scores.csv |
6LPL-ER0 | data/6L/6LPL-ER0/6LPL-ER0_ligand.pdbqt | data/6L/6LPL-ER0/6LPL-ER0_target.pdbqt | data/6L/6LPL-ER0/6LPL-ER0_decoys.pdbqt | data/6L/6LPL-ER0/6LPL-ER0_decoy_scores.csv |
6LIT-2OH | data/6L/6LIT-2OH/6LIT-2OH_ligand.pdbqt | data/6L/6LIT-2OH/6LIT-2OH_target.pdbqt | data/6L/6LIT-2OH/6LIT-2OH_decoys.pdbqt | data/6L/6LIT-2OH/6LIT-2OH_decoy_scores.csv |
6LSN-ACP | data/6L/6LSN-ACP/6LSN-ACP_ligand.pdbqt | data/6L/6LSN-ACP/6LSN-ACP_target.pdbqt | data/6L/6LSN-ACP/6LSN-ACP_decoys.pdbqt | data/6L/6LSN-ACP/6LSN-ACP_decoy_scores.csv |
6LPK-D10 | data/6L/6LPK-D10/6LPK-D10_ligand.pdbqt | data/6L/6LPK-D10/6LPK-D10_target.pdbqt | data/6L/6LPK-D10/6LPK-D10_decoys.pdbqt | data/6L/6LPK-D10/6LPK-D10_decoy_scores.csv |
6LIL-FLC | data/6L/6LIL-FLC/6LIL-FLC_ligand.pdbqt | data/6L/6LIL-FLC/6LIL-FLC_target.pdbqt | data/6L/6LIL-FLC/6LIL-FLC_decoys.pdbqt | data/6L/6LIL-FLC/6LIL-FLC_decoy_scores.csv |
6LFJ-IPD | data/6L/6LFJ-IPD/6LFJ-IPD_ligand.pdbqt | data/6L/6LFJ-IPD/6LFJ-IPD_target.pdbqt | data/6L/6LFJ-IPD/6LFJ-IPD_decoys.pdbqt | data/6L/6LFJ-IPD/6LFJ-IPD_decoy_scores.csv |
6L66-NAD | data/6L/6L66-NAD/6L66-NAD_ligand.pdbqt | data/6L/6L66-NAD/6L66-NAD_target.pdbqt | data/6L/6L66-NAD/6L66-NAD_decoys.pdbqt | data/6L/6L66-NAD/6L66-NAD_decoy_scores.csv |
6LLK-WBP | data/6L/6LLK-WBP/6LLK-WBP_ligand.pdbqt | data/6L/6LLK-WBP/6LLK-WBP_target.pdbqt | data/6L/6LLK-WBP/6LLK-WBP_decoys.pdbqt | data/6L/6LLK-WBP/6LLK-WBP_decoy_scores.csv |
6LR9-EOR | data/6L/6LR9-EOR/6LR9-EOR_ligand.pdbqt | data/6L/6LR9-EOR/6LR9-EOR_target.pdbqt | data/6L/6LR9-EOR/6LR9-EOR_decoys.pdbqt | data/6L/6LR9-EOR/6LR9-EOR_decoy_scores.csv |
6LPJ-UND | data/6L/6LPJ-UND/6LPJ-UND_ligand.pdbqt | data/6L/6LPJ-UND/6LPJ-UND_target.pdbqt | data/6L/6LPJ-UND/6LPJ-UND_decoys.pdbqt | data/6L/6LPJ-UND/6LPJ-UND_decoy_scores.csv |
6LJN-MCM | data/6L/6LJN-MCM/6LJN-MCM_ligand.pdbqt | data/6L/6LJN-MCM/6LJN-MCM_target.pdbqt | data/6L/6LJN-MCM/6LJN-MCM_decoys.pdbqt | data/6L/6LJN-MCM/6LJN-MCM_decoy_scores.csv |
6LP7-B6R | data/6L/6LP7-B6R/6LP7-B6R_ligand.pdbqt | data/6L/6LP7-B6R/6LP7-B6R_target.pdbqt | data/6L/6LP7-B6R/6LP7-B6R_decoys.pdbqt | data/6L/6LP7-B6R/6LP7-B6R_decoy_scores.csv |
6LZE-FHR | data/6L/6LZE-FHR/6LZE-FHR_ligand.pdbqt | data/6L/6LZE-FHR/6LZE-FHR_target.pdbqt | data/6L/6LZE-FHR/6LZE-FHR_decoys.pdbqt | data/6L/6LZE-FHR/6LZE-FHR_decoy_scores.csv |
6LJJ-DUP | data/6L/6LJJ-DUP/6LJJ-DUP_ligand.pdbqt | data/6L/6LJJ-DUP/6LJJ-DUP_target.pdbqt | data/6L/6LJJ-DUP/6LJJ-DUP_decoys.pdbqt | data/6L/6LJJ-DUP/6LJJ-DUP_decoy_scores.csv |
6LIZ-EEO | data/6L/6LIZ-EEO/6LIZ-EEO_ligand.pdbqt | data/6L/6LIZ-EEO/6LIZ-EEO_target.pdbqt | data/6L/6LIZ-EEO/6LIZ-EEO_decoys.pdbqt | data/6L/6LIZ-EEO/6LIZ-EEO_decoy_scores.csv |
6LX6-PLM | data/6L/6LX6-PLM/6LX6-PLM_ligand.pdbqt | data/6L/6LX6-PLM/6LX6-PLM_target.pdbqt | data/6L/6LX6-PLM/6LX6-PLM_decoys.pdbqt | data/6L/6LX6-PLM/6LX6-PLM_decoy_scores.csv |
6LYK-GLN | data/6L/6LYK-GLN/6LYK-GLN_ligand.pdbqt | data/6L/6LYK-GLN/6LYK-GLN_target.pdbqt | data/6L/6LYK-GLN/6LYK-GLN_decoys.pdbqt | data/6L/6LYK-GLN/6LYK-GLN_decoy_scores.csv |
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