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 ⌀ |
|---|---|---|---|---|
6A2M-9QR | data/6A/6A2M-9QR/6A2M-9QR_ligand.pdbqt | data/6A/6A2M-9QR/6A2M-9QR_target.pdbqt | data/6A/6A2M-9QR/6A2M-9QR_decoys.pdbqt | data/6A/6A2M-9QR/6A2M-9QR_decoy_scores.csv |
6AJC-ICT | data/6A/6AJC-ICT/6AJC-ICT_ligand.pdbqt | data/6A/6AJC-ICT/6AJC-ICT_target.pdbqt | data/6A/6AJC-ICT/6AJC-ICT_decoys.pdbqt | data/6A/6AJC-ICT/6AJC-ICT_decoy_scores.csv |
6A46-DCM | data/6A/6A46-DCM/6A46-DCM_ligand.pdbqt | data/6A/6A46-DCM/6A46-DCM_target.pdbqt | data/6A/6A46-DCM/6A46-DCM_decoys.pdbqt | data/6A/6A46-DCM/6A46-DCM_decoy_scores.csv |
6A0V-FMN | data/6A/6A0V-FMN/6A0V-FMN_ligand.pdbqt | data/6A/6A0V-FMN/6A0V-FMN_target.pdbqt | data/6A/6A0V-FMN/6A0V-FMN_decoys.pdbqt | data/6A/6A0V-FMN/6A0V-FMN_decoy_scores.csv |
6APU-3L6 | data/6A/6APU-3L6/6APU-3L6_ligand.pdbqt | data/6A/6APU-3L6/6APU-3L6_target.pdbqt | data/6A/6APU-3L6/6APU-3L6_decoys.pdbqt | data/6A/6APU-3L6/6APU-3L6_decoy_scores.csv |
6A7B-9S0 | data/6A/6A7B-9S0/6A7B-9S0_ligand.pdbqt | data/6A/6A7B-9S0/6A7B-9S0_target.pdbqt | data/6A/6A7B-9S0/6A7B-9S0_decoys.pdbqt | data/6A/6A7B-9S0/6A7B-9S0_decoy_scores.csv |
6AVL-BEN | data/6A/6AVL-BEN/6AVL-BEN_ligand.pdbqt | data/6A/6AVL-BEN/6AVL-BEN_target.pdbqt | data/6A/6AVL-BEN/6AVL-BEN_decoys.pdbqt | data/6A/6AVL-BEN/6AVL-BEN_decoy_scores.csv |
6AAQ-ATP | data/6A/6AAQ-ATP/6AAQ-ATP_ligand.pdbqt | data/6A/6AAQ-ATP/6AAQ-ATP_target.pdbqt | data/6A/6AAQ-ATP/6AAQ-ATP_decoys.pdbqt | data/6A/6AAQ-ATP/6AAQ-ATP_decoy_scores.csv |
6A1F-9OF | data/6A/6A1F-9OF/6A1F-9OF_ligand.pdbqt | data/6A/6A1F-9OF/6A1F-9OF_target.pdbqt | data/6A/6A1F-9OF/6A1F-9OF_decoys.pdbqt | data/6A/6A1F-9OF/6A1F-9OF_decoy_scores.csv |
6AFT-1PG | data/6A/6AFT-1PG/6AFT-1PG_ligand.pdbqt | data/6A/6AFT-1PG/6AFT-1PG_target.pdbqt | data/6A/6AFT-1PG/6AFT-1PG_decoys.pdbqt | data/6A/6AFT-1PG/6AFT-1PG_decoy_scores.csv |
6AF6-O4B | data/6A/6AF6-O4B/6AF6-O4B_ligand.pdbqt | data/6A/6AF6-O4B/6AF6-O4B_target.pdbqt | data/6A/6AF6-O4B/6AF6-O4B_decoys.pdbqt | data/6A/6AF6-O4B/6AF6-O4B_decoy_scores.csv |
6AYR-BIG | data/6A/6AYR-BIG/6AYR-BIG_ligand.pdbqt | data/6A/6AYR-BIG/6AYR-BIG_target.pdbqt | data/6A/6AYR-BIG/6AYR-BIG_decoys.pdbqt | data/6A/6AYR-BIG/6AYR-BIG_decoy_scores.csv |
6AFI-73D | data/6A/6AFI-73D/6AFI-73D_ligand.pdbqt | data/6A/6AFI-73D/6AFI-73D_target.pdbqt | data/6A/6AFI-73D/6AFI-73D_decoys.pdbqt | data/6A/6AFI-73D/6AFI-73D_decoy_scores.csv |
6AV1-H4B | data/6A/6AV1-H4B/6AV1-H4B_ligand.pdbqt | data/6A/6AV1-H4B/6AV1-H4B_target.pdbqt | data/6A/6AV1-H4B/6AV1-H4B_decoys.pdbqt | data/6A/6AV1-H4B/6AV1-H4B_decoy_scores.csv |
6ALB-B3P | data/6A/6ALB-B3P/6ALB-B3P_ligand.pdbqt | data/6A/6ALB-B3P/6ALB-B3P_target.pdbqt | data/6A/6ALB-B3P/6ALB-B3P_decoys.pdbqt | data/6A/6ALB-B3P/6ALB-B3P_decoy_scores.csv |
6AXQ-C2Y | data/6A/6AXQ-C2Y/6AXQ-C2Y_ligand.pdbqt | data/6A/6AXQ-C2Y/6AXQ-C2Y_target.pdbqt | data/6A/6AXQ-C2Y/6AXQ-C2Y_decoys.pdbqt | data/6A/6AXQ-C2Y/6AXQ-C2Y_decoy_scores.csv |
6ALD-2FP | data/6A/6ALD-2FP/6ALD-2FP_ligand.pdbqt | data/6A/6ALD-2FP/6ALD-2FP_target.pdbqt | data/6A/6ALD-2FP/6ALD-2FP_decoys.pdbqt | data/6A/6ALD-2FP/6ALD-2FP_decoy_scores.csv |
6AIC-AMP | data/6A/6AIC-AMP/6AIC-AMP_ligand.pdbqt | data/6A/6AIC-AMP/6AIC-AMP_target.pdbqt | data/6A/6AIC-AMP/6AIC-AMP_decoys.pdbqt | data/6A/6AIC-AMP/6AIC-AMP_decoy_scores.csv |
6A01-9NO | data/6A/6A01-9NO/6A01-9NO_ligand.pdbqt | data/6A/6A01-9NO/6A01-9NO_target.pdbqt | data/6A/6A01-9NO/6A01-9NO_decoys.pdbqt | data/6A/6A01-9NO/6A01-9NO_decoy_scores.csv |
6AXM-BTM | data/6A/6AXM-BTM/6AXM-BTM_ligand.pdbqt | data/6A/6AXM-BTM/6AXM-BTM_target.pdbqt | data/6A/6AXM-BTM/6AXM-BTM_decoys.pdbqt | data/6A/6AXM-BTM/6AXM-BTM_decoy_scores.csv |
6AV6-W68 | data/6A/6AV6-W68/6AV6-W68_ligand.pdbqt | data/6A/6AV6-W68/6AV6-W68_target.pdbqt | null | null |
6A84-9SU | data/6A/6A84-9SU/6A84-9SU_ligand.pdbqt | data/6A/6A84-9SU/6A84-9SU_target.pdbqt | data/6A/6A84-9SU/6A84-9SU_decoys.pdbqt | data/6A/6A84-9SU/6A84-9SU_decoy_scores.csv |
6ASE-GDP | data/6A/6ASE-GDP/6ASE-GDP_ligand.pdbqt | data/6A/6ASE-GDP/6ASE-GDP_target.pdbqt | data/6A/6ASE-GDP/6ASE-GDP_decoys.pdbqt | data/6A/6ASE-GDP/6ASE-GDP_decoy_scores.csv |
6A0M-FMN | data/6A/6A0M-FMN/6A0M-FMN_ligand.pdbqt | data/6A/6A0M-FMN/6A0M-FMN_target.pdbqt | data/6A/6A0M-FMN/6A0M-FMN_decoys.pdbqt | data/6A/6A0M-FMN/6A0M-FMN_decoy_scores.csv |
6AJV-HCC | data/6A/6AJV-HCC/6AJV-HCC_ligand.pdbqt | data/6A/6AJV-HCC/6AJV-HCC_target.pdbqt | data/6A/6AJV-HCC/6AJV-HCC_decoys.pdbqt | data/6A/6AJV-HCC/6AJV-HCC_decoy_scores.csv |
6ALJ-NAD | data/6A/6ALJ-NAD/6ALJ-NAD_ligand.pdbqt | data/6A/6ALJ-NAD/6ALJ-NAD_target.pdbqt | data/6A/6ALJ-NAD/6ALJ-NAD_decoys.pdbqt | data/6A/6ALJ-NAD/6ALJ-NAD_decoy_scores.csv |
6AB0-9UF | data/6A/6AB0-9UF/6AB0-9UF_ligand.pdbqt | data/6A/6AB0-9UF/6AB0-9UF_target.pdbqt | data/6A/6AB0-9UF/6AB0-9UF_decoys.pdbqt | data/6A/6AB0-9UF/6AB0-9UF_decoy_scores.csv |
6A08-173 | data/6A/6A08-173/6A08-173_ligand.pdbqt | data/6A/6A08-173/6A08-173_target.pdbqt | data/6A/6A08-173/6A08-173_decoys.pdbqt | data/6A/6A08-173/6A08-173_decoy_scores.csv |
6AJU-URC | data/6A/6AJU-URC/6AJU-URC_ligand.pdbqt | data/6A/6AJU-URC/6AJU-URC_target.pdbqt | data/6A/6AJU-URC/6AJU-URC_decoys.pdbqt | data/6A/6AJU-URC/6AJU-URC_decoy_scores.csv |
6AUQ-H4B | data/6A/6AUQ-H4B/6AUQ-H4B_ligand.pdbqt | data/6A/6AUQ-H4B/6AUQ-H4B_target.pdbqt | data/6A/6AUQ-H4B/6AUQ-H4B_decoys.pdbqt | data/6A/6AUQ-H4B/6AUQ-H4B_decoy_scores.csv |
6APH-ADN | data/6A/6APH-ADN/6APH-ADN_ligand.pdbqt | data/6A/6APH-ADN/6APH-ADN_target.pdbqt | data/6A/6APH-ADN/6APH-ADN_decoys.pdbqt | data/6A/6APH-ADN/6APH-ADN_decoy_scores.csv |
6AX0-28E | data/6A/6AX0-28E/6AX0-28E_ligand.pdbqt | data/6A/6AX0-28E/6AX0-28E_target.pdbqt | data/6A/6AX0-28E/6AX0-28E_decoys.pdbqt | data/6A/6AX0-28E/6AX0-28E_decoy_scores.csv |
6ADD-NLQ | data/6A/6ADD-NLQ/6ADD-NLQ_ligand.pdbqt | data/6A/6ADD-NLQ/6ADD-NLQ_target.pdbqt | data/6A/6ADD-NLQ/6ADD-NLQ_decoys.pdbqt | data/6A/6ADD-NLQ/6ADD-NLQ_decoy_scores.csv |
6A2D-6R2 | data/6A/6A2D-6R2/6A2D-6R2_ligand.pdbqt | data/6A/6A2D-6R2/6A2D-6R2_target.pdbqt | data/6A/6A2D-6R2/6A2D-6R2_decoys.pdbqt | data/6A/6A2D-6R2/6A2D-6R2_decoy_scores.csv |
6ABA-OLA | data/6A/6ABA-OLA/6ABA-OLA_ligand.pdbqt | data/6A/6ABA-OLA/6ABA-OLA_target.pdbqt | data/6A/6ABA-OLA/6ABA-OLA_decoys.pdbqt | data/6A/6ABA-OLA/6ABA-OLA_decoy_scores.csv |
6ASM-ATP | data/6A/6ASM-ATP/6ASM-ATP_ligand.pdbqt | data/6A/6ASM-ATP/6ASM-ATP_target.pdbqt | null | null |
6AGZ-FMN | data/6A/6AGZ-FMN/6AGZ-FMN_ligand.pdbqt | data/6A/6AGZ-FMN/6AGZ-FMN_target.pdbqt | data/6A/6AGZ-FMN/6AGZ-FMN_decoys.pdbqt | data/6A/6AGZ-FMN/6AGZ-FMN_decoy_scores.csv |
6ACR-9TO | data/6A/6ACR-9TO/6ACR-9TO_ligand.pdbqt | data/6A/6ACR-9TO/6ACR-9TO_target.pdbqt | data/6A/6ACR-9TO/6ACR-9TO_decoys.pdbqt | data/6A/6ACR-9TO/6ACR-9TO_decoy_scores.csv |
6ALQ-ARG | data/6A/6ALQ-ARG/6ALQ-ARG_ligand.pdbqt | data/6A/6ALQ-ARG/6ALQ-ARG_target.pdbqt | data/6A/6ALQ-ARG/6ALQ-ARG_decoys.pdbqt | data/6A/6ALQ-ARG/6ALQ-ARG_decoy_scores.csv |
6AUS-H4B | data/6A/6AUS-H4B/6AUS-H4B_ligand.pdbqt | data/6A/6AUS-H4B/6AUS-H4B_target.pdbqt | data/6A/6AUS-H4B/6AUS-H4B_decoys.pdbqt | data/6A/6AUS-H4B/6AUS-H4B_decoy_scores.csv |
6A21-9OR | data/6A/6A21-9OR/6A21-9OR_ligand.pdbqt | data/6A/6A21-9OR/6A21-9OR_target.pdbqt | data/6A/6A21-9OR/6A21-9OR_decoys.pdbqt | data/6A/6A21-9OR/6A21-9OR_decoy_scores.csv |
6A16-UCZ | data/6A/6A16-UCZ/6A16-UCZ_ligand.pdbqt | data/6A/6A16-UCZ/6A16-UCZ_target.pdbqt | data/6A/6A16-UCZ/6A16-UCZ_decoys.pdbqt | data/6A/6A16-UCZ/6A16-UCZ_decoy_scores.csv |
6A89-API | data/6A/6A89-API/6A89-API_ligand.pdbqt | data/6A/6A89-API/6A89-API_target.pdbqt | data/6A/6A89-API/6A89-API_decoys.pdbqt | data/6A/6A89-API/6A89-API_decoy_scores.csv |
6AUS-BYV | data/6A/6AUS-BYV/6AUS-BYV_ligand.pdbqt | data/6A/6AUS-BYV/6AUS-BYV_target.pdbqt | data/6A/6AUS-BYV/6AUS-BYV_decoys.pdbqt | data/6A/6AUS-BYV/6AUS-BYV_decoy_scores.csv |
6AK6-CTP | data/6A/6AK6-CTP/6AK6-CTP_ligand.pdbqt | data/6A/6AK6-CTP/6AK6-CTP_target.pdbqt | data/6A/6AK6-CTP/6AK6-CTP_decoys.pdbqt | data/6A/6AK6-CTP/6AK6-CTP_decoy_scores.csv |
6A3I-4PW | data/6A/6A3I-4PW/6A3I-4PW_ligand.pdbqt | data/6A/6A3I-4PW/6A3I-4PW_target.pdbqt | data/6A/6A3I-4PW/6A3I-4PW_decoys.pdbqt | data/6A/6A3I-4PW/6A3I-4PW_decoy_scores.csv |
6A05-1YD | data/6A/6A05-1YD/6A05-1YD_ligand.pdbqt | data/6A/6A05-1YD/6A05-1YD_target.pdbqt | data/6A/6A05-1YD/6A05-1YD_decoys.pdbqt | data/6A/6A05-1YD/6A05-1YD_decoy_scores.csv |
6ATE-6H3 | data/6A/6ATE-6H3/6ATE-6H3_ligand.pdbqt | data/6A/6ATE-6H3/6ATE-6H3_target.pdbqt | data/6A/6ATE-6H3/6ATE-6H3_decoys.pdbqt | data/6A/6ATE-6H3/6ATE-6H3_decoy_scores.csv |
6AAP-ATP | data/6A/6AAP-ATP/6AAP-ATP_ligand.pdbqt | data/6A/6AAP-ATP/6AAP-ATP_target.pdbqt | data/6A/6AAP-ATP/6AAP-ATP_decoys.pdbqt | data/6A/6AAP-ATP/6AAP-ATP_decoy_scores.csv |
6ASI-ATP | data/6A/6ASI-ATP/6ASI-ATP_ligand.pdbqt | data/6A/6ASI-ATP/6ASI-ATP_target.pdbqt | data/6A/6ASI-ATP/6ASI-ATP_decoys.pdbqt | data/6A/6ASI-ATP/6ASI-ATP_decoy_scores.csv |
6AHL-CIN | data/6A/6AHL-CIN/6AHL-CIN_ligand.pdbqt | data/6A/6AHL-CIN/6AHL-CIN_target.pdbqt | data/6A/6AHL-CIN/6AHL-CIN_decoys.pdbqt | data/6A/6AHL-CIN/6AHL-CIN_decoy_scores.csv |
6ACI-UDP | data/6A/6ACI-UDP/6ACI-UDP_ligand.pdbqt | data/6A/6ACI-UDP/6ACI-UDP_target.pdbqt | data/6A/6ACI-UDP/6ACI-UDP_decoys.pdbqt | data/6A/6ACI-UDP/6ACI-UDP_decoy_scores.csv |
6AZS-C5S | data/6A/6AZS-C5S/6AZS-C5S_ligand.pdbqt | data/6A/6AZS-C5S/6AZS-C5S_target.pdbqt | data/6A/6AZS-C5S/6AZS-C5S_decoys.pdbqt | data/6A/6AZS-C5S/6AZS-C5S_decoy_scores.csv |
6A4D-9RC | data/6A/6A4D-9RC/6A4D-9RC_ligand.pdbqt | data/6A/6A4D-9RC/6A4D-9RC_target.pdbqt | data/6A/6A4D-9RC/6A4D-9RC_decoys.pdbqt | data/6A/6A4D-9RC/6A4D-9RC_decoy_scores.csv |
6AB2-9V6 | data/6A/6AB2-9V6/6AB2-9V6_ligand.pdbqt | data/6A/6AB2-9V6/6AB2-9V6_target.pdbqt | data/6A/6AB2-9V6/6AB2-9V6_decoys.pdbqt | data/6A/6AB2-9V6/6AB2-9V6_decoy_scores.csv |
6AS8-BTG | data/6A/6AS8-BTG/6AS8-BTG_ligand.pdbqt | data/6A/6AS8-BTG/6AS8-BTG_target.pdbqt | data/6A/6AS8-BTG/6AS8-BTG_decoys.pdbqt | data/6A/6AS8-BTG/6AS8-BTG_decoy_scores.csv |
6A7P-9SC | data/6A/6A7P-9SC/6A7P-9SC_ligand.pdbqt | data/6A/6A7P-9SC/6A7P-9SC_target.pdbqt | data/6A/6A7P-9SC/6A7P-9SC_decoys.pdbqt | data/6A/6A7P-9SC/6A7P-9SC_decoy_scores.csv |
6AFF-72U | data/6A/6AFF-72U/6AFF-72U_ligand.pdbqt | data/6A/6AFF-72U/6AFF-72U_target.pdbqt | data/6A/6AFF-72U/6AFF-72U_decoys.pdbqt | data/6A/6AFF-72U/6AFF-72U_decoy_scores.csv |
6AYS-HT6 | data/6A/6AYS-HT6/6AYS-HT6_ligand.pdbqt | data/6A/6AYS-HT6/6AYS-HT6_target.pdbqt | data/6A/6AYS-HT6/6AYS-HT6_decoys.pdbqt | data/6A/6AYS-HT6/6AYS-HT6_decoy_scores.csv |
6AY6-VOR | data/6A/6AY6-VOR/6AY6-VOR_ligand.pdbqt | data/6A/6AY6-VOR/6AY6-VOR_target.pdbqt | data/6A/6AY6-VOR/6AY6-VOR_decoys.pdbqt | data/6A/6AY6-VOR/6AY6-VOR_decoy_scores.csv |
6A1R-9OC | data/6A/6A1R-9OC/6A1R-9OC_ligand.pdbqt | data/6A/6A1R-9OC/6A1R-9OC_target.pdbqt | data/6A/6A1R-9OC/6A1R-9OC_decoys.pdbqt | data/6A/6A1R-9OC/6A1R-9OC_decoy_scores.csv |
6AXN-BTM | data/6A/6AXN-BTM/6AXN-BTM_ligand.pdbqt | data/6A/6AXN-BTM/6AXN-BTM_target.pdbqt | data/6A/6AXN-BTM/6AXN-BTM_decoys.pdbqt | data/6A/6AXN-BTM/6AXN-BTM_decoy_scores.csv |
6AUL-BTN | data/6A/6AUL-BTN/6AUL-BTN_ligand.pdbqt | data/6A/6AUL-BTN/6AUL-BTN_target.pdbqt | data/6A/6AUL-BTN/6AUL-BTN_decoys.pdbqt | data/6A/6AUL-BTN/6AUL-BTN_decoy_scores.csv |
6AD4-NAI | data/6A/6AD4-NAI/6AD4-NAI_ligand.pdbqt | data/6A/6AD4-NAI/6AD4-NAI_target.pdbqt | data/6A/6AD4-NAI/6AD4-NAI_decoys.pdbqt | data/6A/6AD4-NAI/6AD4-NAI_decoy_scores.csv |
6AR4-BQA | data/6A/6AR4-BQA/6AR4-BQA_ligand.pdbqt | data/6A/6AR4-BQA/6AR4-BQA_target.pdbqt | data/6A/6AR4-BQA/6AR4-BQA_decoys.pdbqt | data/6A/6AR4-BQA/6AR4-BQA_decoy_scores.csv |
6AFY-1PG | data/6A/6AFY-1PG/6AFY-1PG_ligand.pdbqt | data/6A/6AFY-1PG/6AFY-1PG_target.pdbqt | data/6A/6AFY-1PG/6AFY-1PG_decoys.pdbqt | data/6A/6AFY-1PG/6AFY-1PG_decoy_scores.csv |
6A7A-9S0 | data/6A/6A7A-9S0/6A7A-9S0_ligand.pdbqt | data/6A/6A7A-9S0/6A7A-9S0_target.pdbqt | data/6A/6A7A-9S0/6A7A-9S0_decoys.pdbqt | data/6A/6A7A-9S0/6A7A-9S0_decoy_scores.csv |
6APT-45T | data/6A/6APT-45T/6APT-45T_ligand.pdbqt | data/6A/6APT-45T/6APT-45T_target.pdbqt | data/6A/6APT-45T/6APT-45T_decoys.pdbqt | data/6A/6APT-45T/6APT-45T_decoy_scores.csv |
6AUV-W79 | data/6A/6AUV-W79/6AUV-W79_ligand.pdbqt | data/6A/6AUV-W79/6AUV-W79_target.pdbqt | data/6A/6AUV-W79/6AUV-W79_decoys.pdbqt | data/6A/6AUV-W79/6AUV-W79_decoy_scores.csv |
6A8B-ACP | data/6A/6A8B-ACP/6A8B-ACP_ligand.pdbqt | data/6A/6A8B-ACP/6A8B-ACP_target.pdbqt | data/6A/6A8B-ACP/6A8B-ACP_decoys.pdbqt | data/6A/6A8B-ACP/6A8B-ACP_decoy_scores.csv |
6A8Z-TYR | data/6A/6A8Z-TYR/6A8Z-TYR_ligand.pdbqt | data/6A/6A8Z-TYR/6A8Z-TYR_target.pdbqt | data/6A/6A8Z-TYR/6A8Z-TYR_decoys.pdbqt | data/6A/6A8Z-TYR/6A8Z-TYR_decoy_scores.csv |
6A2W-SOG | data/6A/6A2W-SOG/6A2W-SOG_ligand.pdbqt | data/6A/6A2W-SOG/6A2W-SOG_target.pdbqt | data/6A/6A2W-SOG/6A2W-SOG_decoys.pdbqt | data/6A/6A2W-SOG/6A2W-SOG_decoy_scores.csv |
6AV5-H4B | data/6A/6AV5-H4B/6AV5-H4B_ligand.pdbqt | data/6A/6AV5-H4B/6AV5-H4B_target.pdbqt | data/6A/6AV5-H4B/6AV5-H4B_decoys.pdbqt | data/6A/6AV5-H4B/6AV5-H4B_decoy_scores.csv |
6ADX-ADP | data/6A/6ADX-ADP/6ADX-ADP_ligand.pdbqt | data/6A/6ADX-ADP/6ADX-ADP_target.pdbqt | data/6A/6ADX-ADP/6ADX-ADP_decoys.pdbqt | data/6A/6ADX-ADP/6ADX-ADP_decoy_scores.csv |
6ARV-SAH | data/6A/6ARV-SAH/6ARV-SAH_ligand.pdbqt | data/6A/6ARV-SAH/6ARV-SAH_target.pdbqt | data/6A/6ARV-SAH/6ARV-SAH_decoys.pdbqt | data/6A/6ARV-SAH/6ARV-SAH_decoy_scores.csv |
6AL9-PHB | data/6A/6AL9-PHB/6AL9-PHB_ligand.pdbqt | data/6A/6AL9-PHB/6AL9-PHB_target.pdbqt | data/6A/6AL9-PHB/6AL9-PHB_decoys.pdbqt | data/6A/6AL9-PHB/6AL9-PHB_decoy_scores.csv |
6AB0-ATP | data/6A/6AB0-ATP/6AB0-ATP_ligand.pdbqt | data/6A/6AB0-ATP/6AB0-ATP_target.pdbqt | data/6A/6AB0-ATP/6AB0-ATP_decoys.pdbqt | data/6A/6AB0-ATP/6AB0-ATP_decoy_scores.csv |
6A3J-SOE | data/6A/6A3J-SOE/6A3J-SOE_ligand.pdbqt | data/6A/6A3J-SOE/6A3J-SOE_target.pdbqt | data/6A/6A3J-SOE/6A3J-SOE_decoys.pdbqt | data/6A/6A3J-SOE/6A3J-SOE_decoy_scores.csv |
2WVU-JFZ | data/2W/2WVU-JFZ/2WVU-JFZ_ligand.pdbqt | data/2W/2WVU-JFZ/2WVU-JFZ_target.pdbqt | data/2W/2WVU-JFZ/2WVU-JFZ_decoys.pdbqt | data/2W/2WVU-JFZ/2WVU-JFZ_decoy_scores.csv |
2W4K-ADP | data/2W/2W4K-ADP/2W4K-ADP_ligand.pdbqt | data/2W/2W4K-ADP/2W4K-ADP_target.pdbqt | data/2W/2W4K-ADP/2W4K-ADP_decoys.pdbqt | data/2W/2W4K-ADP/2W4K-ADP_decoy_scores.csv |
2WO9-023 | data/2W/2WO9-023/2WO9-023_ligand.pdbqt | data/2W/2WO9-023/2WO9-023_target.pdbqt | data/2W/2WO9-023/2WO9-023_decoys.pdbqt | data/2W/2WO9-023/2WO9-023_decoy_scores.csv |
2WC6-BOM | data/2W/2WC6-BOM/2WC6-BOM_ligand.pdbqt | data/2W/2WC6-BOM/2WC6-BOM_target.pdbqt | data/2W/2WC6-BOM/2WC6-BOM_decoys.pdbqt | data/2W/2WC6-BOM/2WC6-BOM_decoy_scores.csv |
2W5P-CL8 | data/2W/2W5P-CL8/2W5P-CL8_ligand.pdbqt | data/2W/2W5P-CL8/2W5P-CL8_target.pdbqt | data/2W/2W5P-CL8/2W5P-CL8_decoys.pdbqt | data/2W/2W5P-CL8/2W5P-CL8_decoy_scores.csv |
2WKR-FMN | data/2W/2WKR-FMN/2WKR-FMN_ligand.pdbqt | data/2W/2WKR-FMN/2WKR-FMN_target.pdbqt | data/2W/2WKR-FMN/2WKR-FMN_decoys.pdbqt | data/2W/2WKR-FMN/2WKR-FMN_decoy_scores.csv |
2WVS-FUF | data/2W/2WVS-FUF/2WVS-FUF_ligand.pdbqt | data/2W/2WVS-FUF/2WVS-FUF_target.pdbqt | data/2W/2WVS-FUF/2WVS-FUF_decoys.pdbqt | data/2W/2WVS-FUF/2WVS-FUF_decoy_scores.csv |
2WNS-OMP | data/2W/2WNS-OMP/2WNS-OMP_ligand.pdbqt | data/2W/2WNS-OMP/2WNS-OMP_target.pdbqt | data/2W/2WNS-OMP/2WNS-OMP_decoys.pdbqt | data/2W/2WNS-OMP/2WNS-OMP_decoy_scores.csv |
2WSA-646 | data/2W/2WSA-646/2WSA-646_ligand.pdbqt | data/2W/2WSA-646/2WSA-646_target.pdbqt | data/2W/2WSA-646/2WSA-646_decoys.pdbqt | data/2W/2WSA-646/2WSA-646_decoy_scores.csv |
2WQY-CBE | data/2W/2WQY-CBE/2WQY-CBE_ligand.pdbqt | data/2W/2WQY-CBE/2WQY-CBE_target.pdbqt | data/2W/2WQY-CBE/2WQY-CBE_decoys.pdbqt | data/2W/2WQY-CBE/2WQY-CBE_decoy_scores.csv |
2WXL-ZS4 | data/2W/2WXL-ZS4/2WXL-ZS4_ligand.pdbqt | data/2W/2WXL-ZS4/2WXL-ZS4_target.pdbqt | data/2W/2WXL-ZS4/2WXL-ZS4_decoys.pdbqt | data/2W/2WXL-ZS4/2WXL-ZS4_decoy_scores.csv |
2W1H-L0F | data/2W/2W1H-L0F/2W1H-L0F_ligand.pdbqt | data/2W/2W1H-L0F/2W1H-L0F_target.pdbqt | data/2W/2W1H-L0F/2W1H-L0F_decoys.pdbqt | data/2W/2W1H-L0F/2W1H-L0F_decoy_scores.csv |
2W0F-DGA | data/2W/2W0F-DGA/2W0F-DGA_ligand.pdbqt | data/2W/2W0F-DGA/2W0F-DGA_target.pdbqt | data/2W/2W0F-DGA/2W0F-DGA_decoys.pdbqt | data/2W/2W0F-DGA/2W0F-DGA_decoy_scores.csv |
2WHP-HI6 | data/2W/2WHP-HI6/2WHP-HI6_ligand.pdbqt | data/2W/2WHP-HI6/2WHP-HI6_target.pdbqt | data/2W/2WHP-HI6/2WHP-HI6_decoys.pdbqt | data/2W/2WHP-HI6/2WHP-HI6_decoy_scores.csv |
2WHH-GLU | data/2W/2WHH-GLU/2WHH-GLU_ligand.pdbqt | data/2W/2WHH-GLU/2WHH-GLU_target.pdbqt | data/2W/2WHH-GLU/2WHH-GLU_decoys.pdbqt | data/2W/2WHH-GLU/2WHH-GLU_decoy_scores.csv |
2W3B-VG9 | data/2W/2W3B-VG9/2W3B-VG9_ligand.pdbqt | data/2W/2W3B-VG9/2W3B-VG9_target.pdbqt | data/2W/2W3B-VG9/2W3B-VG9_decoys.pdbqt | data/2W/2W3B-VG9/2W3B-VG9_decoy_scores.csv |
2WER-RDC | data/2W/2WER-RDC/2WER-RDC_ligand.pdbqt | data/2W/2WER-RDC/2WER-RDC_target.pdbqt | data/2W/2WER-RDC/2WER-RDC_decoys.pdbqt | data/2W/2WER-RDC/2WER-RDC_decoy_scores.csv |
2W41-ADP | data/2W/2W41-ADP/2W41-ADP_ligand.pdbqt | data/2W/2W41-ADP/2W41-ADP_target.pdbqt | data/2W/2W41-ADP/2W41-ADP_decoys.pdbqt | data/2W/2W41-ADP/2W41-ADP_decoy_scores.csv |
2WPE-WPE | data/2W/2WPE-WPE/2WPE-WPE_ligand.pdbqt | data/2W/2WPE-WPE/2WPE-WPE_target.pdbqt | data/2W/2WPE-WPE/2WPE-WPE_decoys.pdbqt | data/2W/2WPE-WPE/2WPE-WPE_decoy_scores.csv |
2WEL-K88 | data/2W/2WEL-K88/2WEL-K88_ligand.pdbqt | data/2W/2WEL-K88/2WEL-K88_target.pdbqt | data/2W/2WEL-K88/2WEL-K88_decoys.pdbqt | data/2W/2WEL-K88/2WEL-K88_decoy_scores.csv |
2WD4-TBV | data/2W/2WD4-TBV/2WD4-TBV_ligand.pdbqt | data/2W/2WD4-TBV/2WD4-TBV_target.pdbqt | data/2W/2WD4-TBV/2WD4-TBV_decoys.pdbqt | data/2W/2WD4-TBV/2WD4-TBV_decoy_scores.csv |
2WD2-MS5 | data/2W/2WD2-MS5/2WD2-MS5_ligand.pdbqt | data/2W/2WD2-MS5/2WD2-MS5_target.pdbqt | data/2W/2WD2-MS5/2WD2-MS5_decoys.pdbqt | data/2W/2WD2-MS5/2WD2-MS5_decoy_scores.csv |
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