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 ⌀ |
|---|---|---|---|---|
4TKV-HCA | data/4T/4TKV-HCA/4TKV-HCA_ligand.pdbqt | data/4T/4TKV-HCA/4TKV-HCA_target.pdbqt | null | null |
4TL9-AGS | data/4T/4TL9-AGS/4TL9-AGS_ligand.pdbqt | data/4T/4TL9-AGS/4TL9-AGS_target.pdbqt | data/4T/4TL9-AGS/4TL9-AGS_decoys.pdbqt | data/4T/4TL9-AGS/4TL9-AGS_decoy_scores.csv |
4TYO-39X | data/4T/4TYO-39X/4TYO-39X_ligand.pdbqt | data/4T/4TYO-39X/4TYO-39X_target.pdbqt | data/4T/4TYO-39X/4TYO-39X_decoys.pdbqt | data/4T/4TYO-39X/4TYO-39X_decoy_scores.csv |
4TOT-P6G | data/4T/4TOT-P6G/4TOT-P6G_ligand.pdbqt | data/4T/4TOT-P6G/4TOT-P6G_target.pdbqt | data/4T/4TOT-P6G/4TOT-P6G_decoys.pdbqt | data/4T/4TOT-P6G/4TOT-P6G_decoy_scores.csv |
4TNZ-TTP | data/4T/4TNZ-TTP/4TNZ-TTP_ligand.pdbqt | data/4T/4TNZ-TTP/4TNZ-TTP_target.pdbqt | data/4T/4TNZ-TTP/4TNZ-TTP_decoys.pdbqt | data/4T/4TNZ-TTP/4TNZ-TTP_decoy_scores.csv |
4TVB-1PS | data/4T/4TVB-1PS/4TVB-1PS_ligand.pdbqt | data/4T/4TVB-1PS/4TVB-1PS_target.pdbqt | data/4T/4TVB-1PS/4TVB-1PS_decoys.pdbqt | data/4T/4TVB-1PS/4TVB-1PS_decoy_scores.csv |
4TV9-ACP | data/4T/4TV9-ACP/4TV9-ACP_ligand.pdbqt | data/4T/4TV9-ACP/4TV9-ACP_target.pdbqt | data/4T/4TV9-ACP/4TV9-ACP_decoys.pdbqt | data/4T/4TV9-ACP/4TV9-ACP_decoy_scores.csv |
4TTI-FMC | data/4T/4TTI-FMC/4TTI-FMC_ligand.pdbqt | data/4T/4TTI-FMC/4TTI-FMC_target.pdbqt | data/4T/4TTI-FMC/4TTI-FMC_decoys.pdbqt | data/4T/4TTI-FMC/4TTI-FMC_decoy_scores.csv |
4TLA-ADP | data/4T/4TLA-ADP/4TLA-ADP_ligand.pdbqt | data/4T/4TLA-ADP/4TLA-ADP_target.pdbqt | data/4T/4TLA-ADP/4TLA-ADP_decoys.pdbqt | data/4T/4TLA-ADP/4TLA-ADP_decoy_scores.csv |
4TUY-ACP | data/4T/4TUY-ACP/4TUY-ACP_ligand.pdbqt | data/4T/4TUY-ACP/4TUY-ACP_target.pdbqt | data/4T/4TUY-ACP/4TUY-ACP_decoys.pdbqt | data/4T/4TUY-ACP/4TUY-ACP_decoy_scores.csv |
4TZR-UW2 | data/4T/4TZR-UW2/4TZR-UW2_ligand.pdbqt | data/4T/4TZR-UW2/4TZR-UW2_target.pdbqt | data/4T/4TZR-UW2/4TZR-UW2_decoys.pdbqt | data/4T/4TZR-UW2/4TZR-UW2_decoy_scores.csv |
4TX0-384 | data/4T/4TX0-384/4TX0-384_ligand.pdbqt | data/4T/4TX0-384/4TX0-384_target.pdbqt | data/4T/4TX0-384/4TX0-384_decoys.pdbqt | data/4T/4TX0-384/4TX0-384_decoy_scores.csv |
4TNX-3PO | data/4T/4TNX-3PO/4TNX-3PO_ligand.pdbqt | data/4T/4TNX-3PO/4TNX-3PO_target.pdbqt | data/4T/4TNX-3PO/4TNX-3PO_decoys.pdbqt | data/4T/4TNX-3PO/4TNX-3PO_decoy_scores.csv |
4TZU-Y70 | data/4T/4TZU-Y70/4TZU-Y70_ligand.pdbqt | data/4T/4TZU-Y70/4TZU-Y70_target.pdbqt | data/4T/4TZU-Y70/4TZU-Y70_decoys.pdbqt | data/4T/4TZU-Y70/4TZU-Y70_decoy_scores.csv |
4TO8-FLC | data/4T/4TO8-FLC/4TO8-FLC_ligand.pdbqt | data/4T/4TO8-FLC/4TO8-FLC_target.pdbqt | data/4T/4TO8-FLC/4TO8-FLC_decoys.pdbqt | data/4T/4TO8-FLC/4TO8-FLC_decoy_scores.csv |
4TT8-6DD | data/4T/4TT8-6DD/4TT8-6DD_ligand.pdbqt | data/4T/4TT8-6DD/4TT8-6DD_target.pdbqt | data/4T/4TT8-6DD/4TT8-6DD_decoys.pdbqt | data/4T/4TT8-6DD/4TT8-6DD_decoy_scores.csv |
2SNM-THP | data/2S/2SNM-THP/2SNM-THP_ligand.pdbqt | data/2S/2SNM-THP/2SNM-THP_target.pdbqt | data/2S/2SNM-THP/2SNM-THP_decoys.pdbqt | data/2S/2SNM-THP/2SNM-THP_decoy_scores.csv |
2SKE-GLC | data/2S/2SKE-GLC/2SKE-GLC_ligand.pdbqt | data/2S/2SKE-GLC/2SKE-GLC_target.pdbqt | data/2S/2SKE-GLC/2SKE-GLC_decoys.pdbqt | data/2S/2SKE-GLC/2SKE-GLC_decoy_scores.csv |
2SKC-GLC | data/2S/2SKC-GLC/2SKC-GLC_ligand.pdbqt | data/2S/2SKC-GLC/2SKC-GLC_target.pdbqt | data/2S/2SKC-GLC/2SKC-GLC_decoys.pdbqt | data/2S/2SKC-GLC/2SKC-GLC_decoy_scores.csv |
2SRC-ANP | data/2S/2SRC-ANP/2SRC-ANP_ligand.pdbqt | data/2S/2SRC-ANP/2SRC-ANP_target.pdbqt | data/2S/2SRC-ANP/2SRC-ANP_decoys.pdbqt | data/2S/2SRC-ANP/2SRC-ANP_decoy_scores.csv |
2SKD-IMP | data/2S/2SKD-IMP/2SKD-IMP_ligand.pdbqt | data/2S/2SKD-IMP/2SKD-IMP_target.pdbqt | data/2S/2SKD-IMP/2SKD-IMP_decoys.pdbqt | data/2S/2SKD-IMP/2SKD-IMP_decoy_scores.csv |
2SKC-IMP | data/2S/2SKC-IMP/2SKC-IMP_ligand.pdbqt | data/2S/2SKC-IMP/2SKC-IMP_target.pdbqt | data/2S/2SKC-IMP/2SKC-IMP_decoys.pdbqt | data/2S/2SKC-IMP/2SKC-IMP_decoy_scores.csv |
2SLI-SKD | data/2S/2SLI-SKD/2SLI-SKD_ligand.pdbqt | data/2S/2SLI-SKD/2SLI-SKD_target.pdbqt | data/2S/2SLI-SKD/2SLI-SKD_decoys.pdbqt | data/2S/2SLI-SKD/2SLI-SKD_decoy_scores.csv |
2SHP-CAT | data/2S/2SHP-CAT/2SHP-CAT_ligand.pdbqt | data/2S/2SHP-CAT/2SHP-CAT_target.pdbqt | data/2S/2SHP-CAT/2SHP-CAT_decoys.pdbqt | data/2S/2SHP-CAT/2SHP-CAT_decoy_scores.csv |
2STD-CRP | data/2S/2STD-CRP/2STD-CRP_ligand.pdbqt | data/2S/2STD-CRP/2STD-CRP_target.pdbqt | data/2S/2STD-CRP/2STD-CRP_decoys.pdbqt | data/2S/2STD-CRP/2STD-CRP_decoy_scores.csv |
2SNS-THP | data/2S/2SNS-THP/2SNS-THP_ligand.pdbqt | data/2S/2SNS-THP/2SNS-THP_target.pdbqt | data/2S/2SNS-THP/2SNS-THP_decoys.pdbqt | data/2S/2SNS-THP/2SNS-THP_decoy_scores.csv |
2SKD-GLC | data/2S/2SKD-GLC/2SKD-GLC_ligand.pdbqt | data/2S/2SKD-GLC/2SKD-GLC_target.pdbqt | data/2S/2SKD-GLC/2SKD-GLC_decoys.pdbqt | data/2S/2SKD-GLC/2SKD-GLC_decoy_scores.csv |
2SAR-3GP | data/2S/2SAR-3GP/2SAR-3GP_ligand.pdbqt | data/2S/2SAR-3GP/2SAR-3GP_target.pdbqt | data/2S/2SAR-3GP/2SAR-3GP_decoys.pdbqt | data/2S/2SAR-3GP/2SAR-3GP_decoy_scores.csv |
2SAM-EPN | data/2S/2SAM-EPN/2SAM-EPN_ligand.pdbqt | data/2S/2SAM-EPN/2SAM-EPN_target.pdbqt | data/2S/2SAM-EPN/2SAM-EPN_decoys.pdbqt | data/2S/2SAM-EPN/2SAM-EPN_decoy_scores.csv |
2SQC-C8E | data/2S/2SQC-C8E/2SQC-C8E_ligand.pdbqt | data/2S/2SQC-C8E/2SQC-C8E_target.pdbqt | data/2S/2SQC-C8E/2SQC-C8E_decoys.pdbqt | data/2S/2SQC-C8E/2SQC-C8E_decoy_scores.csv |
2SIM-DAN | data/2S/2SIM-DAN/2SIM-DAN_ligand.pdbqt | data/2S/2SIM-DAN/2SIM-DAN_target.pdbqt | data/2S/2SIM-DAN/2SIM-DAN_decoys.pdbqt | data/2S/2SIM-DAN/2SIM-DAN_decoy_scores.csv |
2SKE-IMP | data/2S/2SKE-IMP/2SKE-IMP_ligand.pdbqt | data/2S/2SKE-IMP/2SKE-IMP_target.pdbqt | data/2S/2SKE-IMP/2SKE-IMP_decoys.pdbqt | data/2S/2SKE-IMP/2SKE-IMP_decoy_scores.csv |
8BA3-Q8U | data/8B/8BA3-Q8U/8BA3-Q8U_ligand.pdbqt | data/8B/8BA3-Q8U/8BA3-Q8U_target.pdbqt | data/8B/8BA3-Q8U/8BA3-Q8U_decoys.pdbqt | data/8B/8BA3-Q8U/8BA3-Q8U_decoy_scores.csv |
8BAY-QD8 | data/8B/8BAY-QD8/8BAY-QD8_ligand.pdbqt | data/8B/8BAY-QD8/8BAY-QD8_target.pdbqt | data/8B/8BAY-QD8/8BAY-QD8_decoys.pdbqt | data/8B/8BAY-QD8/8BAY-QD8_decoy_scores.csv |
8BEE-8Q1 | data/8B/8BEE-8Q1/8BEE-8Q1_ligand.pdbqt | data/8B/8BEE-8Q1/8BEE-8Q1_target.pdbqt | data/8B/8BEE-8Q1/8BEE-8Q1_decoys.pdbqt | data/8B/8BEE-8Q1/8BEE-8Q1_decoy_scores.csv |
8BIC-SAH | data/8B/8BIC-SAH/8BIC-SAH_ligand.pdbqt | data/8B/8BIC-SAH/8BIC-SAH_target.pdbqt | data/8B/8BIC-SAH/8BIC-SAH_decoys.pdbqt | data/8B/8BIC-SAH/8BIC-SAH_decoy_scores.csv |
8BT5-REH | data/8B/8BT5-REH/8BT5-REH_ligand.pdbqt | data/8B/8BT5-REH/8BT5-REH_target.pdbqt | data/8B/8BT5-REH/8BT5-REH_decoys.pdbqt | data/8B/8BT5-REH/8BT5-REH_decoy_scores.csv |
8BIJ-SAH | data/8B/8BIJ-SAH/8BIJ-SAH_ligand.pdbqt | data/8B/8BIJ-SAH/8BIJ-SAH_target.pdbqt | data/8B/8BIJ-SAH/8BIJ-SAH_decoys.pdbqt | data/8B/8BIJ-SAH/8BIJ-SAH_decoy_scores.csv |
8BW3-Y3V | data/8B/8BW3-Y3V/8BW3-Y3V_ligand.pdbqt | data/8B/8BW3-Y3V/8BW3-Y3V_target.pdbqt | data/8B/8BW3-Y3V/8BW3-Y3V_decoys.pdbqt | data/8B/8BW3-Y3V/8BW3-Y3V_decoy_scores.csv |
8BQ4-QZR | data/8B/8BQ4-QZR/8BQ4-QZR_ligand.pdbqt | data/8B/8BQ4-QZR/8BQ4-QZR_target.pdbqt | data/8B/8BQ4-QZR/8BQ4-QZR_decoys.pdbqt | data/8B/8BQ4-QZR/8BQ4-QZR_decoy_scores.csv |
8BOI-R0O | data/8B/8BOI-R0O/8BOI-R0O_ligand.pdbqt | data/8B/8BOI-R0O/8BOI-R0O_target.pdbqt | data/8B/8BOI-R0O/8BOI-R0O_decoys.pdbqt | data/8B/8BOI-R0O/8BOI-R0O_decoy_scores.csv |
8BC9-A09 | data/8B/8BC9-A09/8BC9-A09_ligand.pdbqt | data/8B/8BC9-A09/8BC9-A09_target.pdbqt | data/8B/8BC9-A09/8BC9-A09_decoys.pdbqt | data/8B/8BC9-A09/8BC9-A09_decoy_scores.csv |
8BF2-QGL | data/8B/8BF2-QGL/8BF2-QGL_ligand.pdbqt | data/8B/8BF2-QGL/8BF2-QGL_target.pdbqt | data/8B/8BF2-QGL/8BF2-QGL_decoys.pdbqt | data/8B/8BF2-QGL/8BF2-QGL_decoy_scores.csv |
8B90-Q1R | data/8B/8B90-Q1R/8B90-Q1R_ligand.pdbqt | data/8B/8B90-Q1R/8B90-Q1R_target.pdbqt | data/8B/8B90-Q1R/8B90-Q1R_decoys.pdbqt | data/8B/8B90-Q1R/8B90-Q1R_decoy_scores.csv |
8B95-Q4C | data/8B/8B95-Q4C/8B95-Q4C_ligand.pdbqt | data/8B/8B95-Q4C/8B95-Q4C_target.pdbqt | data/8B/8B95-Q4C/8B95-Q4C_decoys.pdbqt | data/8B/8B95-Q4C/8B95-Q4C_decoy_scores.csv |
8B8W-Q2X | data/8B/8B8W-Q2X/8B8W-Q2X_ligand.pdbqt | data/8B/8B8W-Q2X/8B8W-Q2X_target.pdbqt | data/8B/8B8W-Q2X/8B8W-Q2X_decoys.pdbqt | data/8B/8B8W-Q2X/8B8W-Q2X_decoy_scores.csv |
8B2P-OCA | data/8B/8B2P-OCA/8B2P-OCA_ligand.pdbqt | data/8B/8B2P-OCA/8B2P-OCA_target.pdbqt | data/8B/8B2P-OCA/8B2P-OCA_decoys.pdbqt | data/8B/8B2P-OCA/8B2P-OCA_decoy_scores.csv |
8BSQ-RDO | data/8B/8BSQ-RDO/8BSQ-RDO_ligand.pdbqt | data/8B/8BSQ-RDO/8BSQ-RDO_target.pdbqt | data/8B/8BSQ-RDO/8BSQ-RDO_decoys.pdbqt | data/8B/8BSQ-RDO/8BSQ-RDO_decoy_scores.csv |
8BC3-QC9 | data/8B/8BC3-QC9/8BC3-QC9_ligand.pdbqt | data/8B/8BC3-QC9/8BC3-QC9_target.pdbqt | data/8B/8BC3-QC9/8BC3-QC9_decoys.pdbqt | data/8B/8BC3-QC9/8BC3-QC9_decoy_scores.csv |
8BOH-R0T | data/8B/8BOH-R0T/8BOH-R0T_ligand.pdbqt | data/8B/8BOH-R0T/8BOH-R0T_target.pdbqt | data/8B/8BOH-R0T/8BOH-R0T_decoys.pdbqt | data/8B/8BOH-R0T/8BOH-R0T_decoy_scores.csv |
8B8Z-Q33 | data/8B/8B8Z-Q33/8B8Z-Q33_ligand.pdbqt | data/8B/8B8Z-Q33/8B8Z-Q33_target.pdbqt | data/8B/8B8Z-Q33/8B8Z-Q33_decoys.pdbqt | data/8B/8B8Z-Q33/8B8Z-Q33_decoy_scores.csv |
8B92-Q5X | data/8B/8B92-Q5X/8B92-Q5X_ligand.pdbqt | data/8B/8B92-Q5X/8B92-Q5X_target.pdbqt | data/8B/8B92-Q5X/8B92-Q5X_decoys.pdbqt | data/8B/8B92-Q5X/8B92-Q5X_decoy_scores.csv |
8BGX-SAH | data/8B/8BGX-SAH/8BGX-SAH_ligand.pdbqt | data/8B/8BGX-SAH/8BGX-SAH_target.pdbqt | data/8B/8BGX-SAH/8BGX-SAH_decoys.pdbqt | data/8B/8BGX-SAH/8BGX-SAH_decoy_scores.csv |
8BSD-TBN | data/8B/8BSD-TBN/8BSD-TBN_ligand.pdbqt | data/8B/8BSD-TBN/8BSD-TBN_target.pdbqt | data/8B/8BSD-TBN/8BSD-TBN_decoys.pdbqt | data/8B/8BSD-TBN/8BSD-TBN_decoy_scores.csv |
8BID-QPF | data/8B/8BID-QPF/8BID-QPF_ligand.pdbqt | data/8B/8BID-QPF/8BID-QPF_target.pdbqt | data/8B/8BID-QPF/8BID-QPF_decoys.pdbqt | data/8B/8BID-QPF/8BID-QPF_decoy_scores.csv |
8BOK-R0X | data/8B/8BOK-R0X/8BOK-R0X_ligand.pdbqt | data/8B/8BOK-R0X/8BOK-R0X_target.pdbqt | data/8B/8BOK-R0X/8BOK-R0X_decoys.pdbqt | data/8B/8BOK-R0X/8BOK-R0X_decoy_scores.csv |
8BC8-QB6 | data/8B/8BC8-QB6/8BC8-QB6_ligand.pdbqt | data/8B/8BC8-QB6/8BC8-QB6_target.pdbqt | data/8B/8BC8-QB6/8BC8-QB6_decoys.pdbqt | data/8B/8BC8-QB6/8BC8-QB6_decoy_scores.csv |
8BED-FMN | data/8B/8BED-FMN/8BED-FMN_ligand.pdbqt | data/8B/8BED-FMN/8BED-FMN_target.pdbqt | data/8B/8BED-FMN/8BED-FMN_decoys.pdbqt | data/8B/8BED-FMN/8BED-FMN_decoy_scores.csv |
8BYH-SAM | data/8B/8BYH-SAM/8BYH-SAM_ligand.pdbqt | data/8B/8BYH-SAM/8BYH-SAM_target.pdbqt | data/8B/8BYH-SAM/8BYH-SAM_decoys.pdbqt | data/8B/8BYH-SAM/8BYH-SAM_decoy_scores.csv |
8BIN-QRR | data/8B/8BIN-QRR/8BIN-QRR_ligand.pdbqt | data/8B/8BIN-QRR/8BIN-QRR_target.pdbqt | data/8B/8BIN-QRR/8BIN-QRR_decoys.pdbqt | data/8B/8BIN-QRR/8BIN-QRR_decoy_scores.csv |
8BT2-RG0 | data/8B/8BT2-RG0/8BT2-RG0_ligand.pdbqt | data/8B/8BT2-RG0/8BT2-RG0_target.pdbqt | data/8B/8BT2-RG0/8BT2-RG0_decoys.pdbqt | data/8B/8BT2-RG0/8BT2-RG0_decoy_scores.csv |
8BJ3-QNX | data/8B/8BJ3-QNX/8BJ3-QNX_ligand.pdbqt | data/8B/8BJ3-QNX/8BJ3-QNX_target.pdbqt | data/8B/8BJ3-QNX/8BJ3-QNX_decoys.pdbqt | data/8B/8BJ3-QNX/8BJ3-QNX_decoy_scores.csv |
8B8Y-Q33 | data/8B/8B8Y-Q33/8B8Y-Q33_ligand.pdbqt | data/8B/8B8Y-Q33/8B8Y-Q33_target.pdbqt | data/8B/8B8Y-Q33/8B8Y-Q33_decoys.pdbqt | data/8B/8B8Y-Q33/8B8Y-Q33_decoy_scores.csv |
8BDI-QF7 | data/8B/8BDI-QF7/8BDI-QF7_ligand.pdbqt | data/8B/8BDI-QF7/8BDI-QF7_target.pdbqt | null | null |
8BDE-GTP | data/8B/8BDE-GTP/8BDE-GTP_ligand.pdbqt | data/8B/8BDE-GTP/8BDE-GTP_target.pdbqt | data/8B/8BDE-GTP/8BDE-GTP_decoys.pdbqt | data/8B/8BDE-GTP/8BDE-GTP_decoy_scores.csv |
8B25-OSO | data/8B/8B25-OSO/8B25-OSO_ligand.pdbqt | data/8B/8B25-OSO/8B25-OSO_target.pdbqt | data/8B/8B25-OSO/8B25-OSO_decoys.pdbqt | data/8B/8B25-OSO/8B25-OSO_decoy_scores.csv |
8BW2-Y3Y | data/8B/8BW2-Y3Y/8BW2-Y3Y_ligand.pdbqt | data/8B/8BW2-Y3Y/8BW2-Y3Y_target.pdbqt | data/8B/8BW2-Y3Y/8BW2-Y3Y_decoys.pdbqt | data/8B/8BW2-Y3Y/8BW2-Y3Y_decoy_scores.csv |
8BFS-QNR | data/8B/8BFS-QNR/8BFS-QNR_ligand.pdbqt | data/8B/8BFS-QNR/8BFS-QNR_target.pdbqt | data/8B/8BFS-QNR/8BFS-QNR_decoys.pdbqt | data/8B/8BFS-QNR/8BFS-QNR_decoy_scores.csv |
8BSR-RCU | data/8B/8BSR-RCU/8BSR-RCU_ligand.pdbqt | data/8B/8BSR-RCU/8BSR-RCU_target.pdbqt | data/8B/8BSR-RCU/8BSR-RCU_decoys.pdbqt | data/8B/8BSR-RCU/8BSR-RCU_decoy_scores.csv |
8BEF-UQ5 | data/8B/8BEF-UQ5/8BEF-UQ5_ligand.pdbqt | data/8B/8BEF-UQ5/8BEF-UQ5_target.pdbqt | data/8B/8BEF-UQ5/8BEF-UQ5_decoys.pdbqt | data/8B/8BEF-UQ5/8BEF-UQ5_decoy_scores.csv |
8BK0-QJI | data/8B/8BK0-QJI/8BK0-QJI_ligand.pdbqt | data/8B/8BK0-QJI/8BK0-QJI_target.pdbqt | data/8B/8BK0-QJI/8BK0-QJI_decoys.pdbqt | data/8B/8BK0-QJI/8BK0-QJI_decoy_scores.csv |
8BID-SAH | data/8B/8BID-SAH/8BID-SAH_ligand.pdbqt | data/8B/8BID-SAH/8BID-SAH_target.pdbqt | data/8B/8BID-SAH/8BID-SAH_decoys.pdbqt | data/8B/8BID-SAH/8BID-SAH_decoy_scores.csv |
8B8N-AQG | data/8B/8B8N-AQG/8B8N-AQG_ligand.pdbqt | data/8B/8B8N-AQG/8B8N-AQG_target.pdbqt | data/8B/8B8N-AQG/8B8N-AQG_decoys.pdbqt | data/8B/8B8N-AQG/8B8N-AQG_decoy_scores.csv |
8B7R-Q0X | data/8B/8B7R-Q0X/8B7R-Q0X_ligand.pdbqt | data/8B/8B7R-Q0X/8B7R-Q0X_target.pdbqt | data/8B/8B7R-Q0X/8B7R-Q0X_decoys.pdbqt | data/8B/8B7R-Q0X/8B7R-Q0X_decoy_scores.csv |
8BIO-QRD | data/8B/8BIO-QRD/8BIO-QRD_ligand.pdbqt | data/8B/8BIO-QRD/8BIO-QRD_target.pdbqt | data/8B/8BIO-QRD/8BIO-QRD_decoys.pdbqt | data/8B/8BIO-QRD/8BIO-QRD_decoy_scores.csv |
8B8X-A8R | data/8B/8B8X-A8R/8B8X-A8R_ligand.pdbqt | data/8B/8B8X-A8R/8B8X-A8R_target.pdbqt | data/8B/8B8X-A8R/8B8X-A8R_decoys.pdbqt | data/8B/8B8X-A8R/8B8X-A8R_decoy_scores.csv |
8BR9-ADP | data/8B/8BR9-ADP/8BR9-ADP_ligand.pdbqt | data/8B/8BR9-ADP/8BR9-ADP_target.pdbqt | data/8B/8BR9-ADP/8BR9-ADP_decoys.pdbqt | data/8B/8BR9-ADP/8BR9-ADP_decoy_scores.csv |
8BIR-QOI | data/8B/8BIR-QOI/8BIR-QOI_ligand.pdbqt | data/8B/8BIR-QOI/8BIR-QOI_target.pdbqt | data/8B/8BIR-QOI/8BIR-QOI_decoys.pdbqt | data/8B/8BIR-QOI/8BIR-QOI_decoy_scores.csv |
8BTI-RFO | data/8B/8BTI-RFO/8BTI-RFO_ligand.pdbqt | data/8B/8BTI-RFO/8BTI-RFO_target.pdbqt | data/8B/8BTI-RFO/8BTI-RFO_decoys.pdbqt | data/8B/8BTI-RFO/8BTI-RFO_decoy_scores.csv |
8BSZ-RGU | data/8B/8BSZ-RGU/8BSZ-RGU_ligand.pdbqt | data/8B/8BSZ-RGU/8BSZ-RGU_target.pdbqt | data/8B/8BSZ-RGU/8BSZ-RGU_decoys.pdbqt | data/8B/8BSZ-RGU/8BSZ-RGU_decoy_scores.csv |
8BZ3-SQR | data/8B/8BZ3-SQR/8BZ3-SQR_ligand.pdbqt | data/8B/8BZ3-SQR/8BZ3-SQR_target.pdbqt | data/8B/8BZ3-SQR/8BZ3-SQR_decoys.pdbqt | data/8B/8BZ3-SQR/8BZ3-SQR_decoy_scores.csv |
8BTH-RJ0 | data/8B/8BTH-RJ0/8BTH-RJ0_ligand.pdbqt | data/8B/8BTH-RJ0/8BTH-RJ0_target.pdbqt | data/8B/8BTH-RJ0/8BTH-RJ0_decoys.pdbqt | data/8B/8BTH-RJ0/8BTH-RJ0_decoy_scores.csv |
8B94-Q5O | data/8B/8B94-Q5O/8B94-Q5O_ligand.pdbqt | data/8B/8B94-Q5O/8B94-Q5O_target.pdbqt | data/8B/8B94-Q5O/8B94-Q5O_decoys.pdbqt | data/8B/8B94-Q5O/8B94-Q5O_decoy_scores.csv |
8BH0-SAH | data/8B/8BH0-SAH/8BH0-SAH_ligand.pdbqt | data/8B/8BH0-SAH/8BH0-SAH_target.pdbqt | data/8B/8BH0-SAH/8BH0-SAH_decoys.pdbqt | data/8B/8BH0-SAH/8BH0-SAH_decoy_scores.csv |
8BTC-RIQ | data/8B/8BTC-RIQ/8BTC-RIQ_ligand.pdbqt | data/8B/8BTC-RIQ/8BTC-RIQ_target.pdbqt | data/8B/8BTC-RIQ/8BTC-RIQ_decoys.pdbqt | data/8B/8BTC-RIQ/8BTC-RIQ_decoy_scores.csv |
8BEL-UQ7 | data/8B/8BEL-UQ7/8BEL-UQ7_ligand.pdbqt | data/8B/8BEL-UQ7/8BEL-UQ7_target.pdbqt | data/8B/8BEL-UQ7/8BEL-UQ7_decoys.pdbqt | data/8B/8BEL-UQ7/8BEL-UQ7_decoy_scores.csv |
8BGT-SAM | data/8B/8BGT-SAM/8BGT-SAM_ligand.pdbqt | data/8B/8BGT-SAM/8BGT-SAM_target.pdbqt | data/8B/8BGT-SAM/8BGT-SAM_decoys.pdbqt | data/8B/8BGT-SAM/8BGT-SAM_decoy_scores.csv |
8BOF-R3L | data/8B/8BOF-R3L/8BOF-R3L_ligand.pdbqt | data/8B/8BOF-R3L/8BOF-R3L_target.pdbqt | data/8B/8BOF-R3L/8BOF-R3L_decoys.pdbqt | data/8B/8BOF-R3L/8BOF-R3L_decoy_scores.csv |
8BCB-SAN | data/8B/8BCB-SAN/8BCB-SAN_ligand.pdbqt | data/8B/8BCB-SAN/8BCB-SAN_target.pdbqt | data/8B/8BCB-SAN/8BCB-SAN_decoys.pdbqt | data/8B/8BCB-SAN/8BCB-SAN_decoy_scores.csv |
8BA4-Q8U | data/8B/8BA4-Q8U/8BA4-Q8U_ligand.pdbqt | data/8B/8BA4-Q8U/8BA4-Q8U_target.pdbqt | data/8B/8BA4-Q8U/8BA4-Q8U_decoys.pdbqt | data/8B/8BA4-Q8U/8BA4-Q8U_decoy_scores.csv |
8BDL-QF3 | data/8B/8BDL-QF3/8BDL-QF3_ligand.pdbqt | data/8B/8BDL-QF3/8BDL-QF3_target.pdbqt | null | null |
8BDE-GDP | data/8B/8BDE-GDP/8BDE-GDP_ligand.pdbqt | data/8B/8BDE-GDP/8BDE-GDP_target.pdbqt | data/8B/8BDE-GDP/8BDE-GDP_decoys.pdbqt | data/8B/8BDE-GDP/8BDE-GDP_decoy_scores.csv |
8BA6-S8N | data/8B/8BA6-S8N/8BA6-S8N_ligand.pdbqt | data/8B/8BA6-S8N/8BA6-S8N_target.pdbqt | data/8B/8BA6-S8N/8BA6-S8N_decoys.pdbqt | data/8B/8BA6-S8N/8BA6-S8N_decoy_scores.csv |
8BCR-SAH | data/8B/8BCR-SAH/8BCR-SAH_ligand.pdbqt | data/8B/8BCR-SAH/8BCR-SAH_target.pdbqt | data/8B/8BCR-SAH/8BCR-SAH_decoys.pdbqt | data/8B/8BCR-SAH/8BCR-SAH_decoy_scores.csv |
8B10-BTB | data/8B/8B10-BTB/8B10-BTB_ligand.pdbqt | data/8B/8B10-BTB/8B10-BTB_target.pdbqt | data/8B/8B10-BTB/8B10-BTB_decoys.pdbqt | data/8B/8B10-BTB/8B10-BTB_decoy_scores.csv |
8BXK-SFG | data/8B/8BXK-SFG/8BXK-SFG_ligand.pdbqt | data/8B/8BXK-SFG/8BXK-SFG_target.pdbqt | data/8B/8BXK-SFG/8BXK-SFG_decoys.pdbqt | data/8B/8BXK-SFG/8BXK-SFG_decoy_scores.csv |
8BIH-SAH | data/8B/8BIH-SAH/8BIH-SAH_ligand.pdbqt | data/8B/8BIH-SAH/8BIH-SAH_target.pdbqt | data/8B/8BIH-SAH/8BIH-SAH_decoys.pdbqt | data/8B/8BIH-SAH/8BIH-SAH_decoy_scores.csv |
8BSK-04A | data/8B/8BSK-04A/8BSK-04A_ligand.pdbqt | data/8B/8BSK-04A/8BSK-04A_target.pdbqt | data/8B/8BSK-04A/8BSK-04A_decoys.pdbqt | data/8B/8BSK-04A/8BSK-04A_decoy_scores.csv |
8BDF-ACP | data/8B/8BDF-ACP/8BDF-ACP_ligand.pdbqt | data/8B/8BDF-ACP/8BDF-ACP_target.pdbqt | data/8B/8BDF-ACP/8BDF-ACP_decoys.pdbqt | data/8B/8BDF-ACP/8BDF-ACP_decoy_scores.csv |
8BSG-POG | data/8B/8BSG-POG/8BSG-POG_ligand.pdbqt | data/8B/8BSG-POG/8BSG-POG_target.pdbqt | data/8B/8BSG-POG/8BSG-POG_decoys.pdbqt | data/8B/8BSG-POG/8BSG-POG_decoy_scores.csv |
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