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 ⌀ |
|---|---|---|---|---|
4ORM-2V6 | data/4O/4ORM-2V6/4ORM-2V6_ligand.pdbqt | data/4O/4ORM-2V6/4ORM-2V6_target.pdbqt | data/4O/4ORM-2V6/4ORM-2V6_decoys.pdbqt | data/4O/4ORM-2V6/4ORM-2V6_decoy_scores.csv |
4O4F-ATP | data/4O/4O4F-ATP/4O4F-ATP_ligand.pdbqt | data/4O/4O4F-ATP/4O4F-ATP_target.pdbqt | data/4O/4O4F-ATP/4O4F-ATP_decoys.pdbqt | data/4O/4O4F-ATP/4O4F-ATP_decoy_scores.csv |
4OWN-5RG | data/4O/4OWN-5RG/4OWN-5RG_ligand.pdbqt | data/4O/4OWN-5RG/4OWN-5RG_target.pdbqt | data/4O/4OWN-5RG/4OWN-5RG_decoys.pdbqt | data/4O/4OWN-5RG/4OWN-5RG_decoy_scores.csv |
4OZ2-1Z6 | data/4O/4OZ2-1Z6/4OZ2-1Z6_ligand.pdbqt | data/4O/4OZ2-1Z6/4OZ2-1Z6_target.pdbqt | data/4O/4OZ2-1Z6/4OZ2-1Z6_decoys.pdbqt | data/4O/4OZ2-1Z6/4OZ2-1Z6_decoy_scores.csv |
4OVL-1TD | data/4O/4OVL-1TD/4OVL-1TD_ligand.pdbqt | data/4O/4OVL-1TD/4OVL-1TD_target.pdbqt | data/4O/4OVL-1TD/4OVL-1TD_decoys.pdbqt | data/4O/4OVL-1TD/4OVL-1TD_decoy_scores.csv |
4O4H-GDP | data/4O/4O4H-GDP/4O4H-GDP_ligand.pdbqt | data/4O/4O4H-GDP/4O4H-GDP_target.pdbqt | data/4O/4O4H-GDP/4O4H-GDP_decoys.pdbqt | data/4O/4O4H-GDP/4O4H-GDP_decoy_scores.csv |
4O67-1SY | data/4O/4O67-1SY/4O67-1SY_ligand.pdbqt | data/4O/4O67-1SY/4O67-1SY_target.pdbqt | data/4O/4O67-1SY/4O67-1SY_decoys.pdbqt | data/4O/4O67-1SY/4O67-1SY_decoy_scores.csv |
4OAR-2S0 | data/4O/4OAR-2S0/4OAR-2S0_ligand.pdbqt | data/4O/4OAR-2S0/4OAR-2S0_target.pdbqt | data/4O/4OAR-2S0/4OAR-2S0_decoys.pdbqt | data/4O/4OAR-2S0/4OAR-2S0_decoy_scores.csv |
4OX2-SPV | data/4O/4OX2-SPV/4OX2-SPV_ligand.pdbqt | data/4O/4OX2-SPV/4OX2-SPV_target.pdbqt | data/4O/4OX2-SPV/4OX2-SPV_decoys.pdbqt | data/4O/4OX2-SPV/4OX2-SPV_decoy_scores.csv |
4OGV-2U7 | data/4O/4OGV-2U7/4OGV-2U7_ligand.pdbqt | data/4O/4OGV-2U7/4OGV-2U7_target.pdbqt | data/4O/4OGV-2U7/4OGV-2U7_decoys.pdbqt | data/4O/4OGV-2U7/4OGV-2U7_decoy_scores.csv |
4OMG-CXS | data/4O/4OMG-CXS/4OMG-CXS_ligand.pdbqt | data/4O/4OMG-CXS/4OMG-CXS_target.pdbqt | data/4O/4OMG-CXS/4OMG-CXS_decoys.pdbqt | data/4O/4OMG-CXS/4OMG-CXS_decoy_scores.csv |
4OEW-5IO | data/4O/4OEW-5IO/4OEW-5IO_ligand.pdbqt | data/4O/4OEW-5IO/4OEW-5IO_target.pdbqt | data/4O/4OEW-5IO/4OEW-5IO_decoys.pdbqt | data/4O/4OEW-5IO/4OEW-5IO_decoy_scores.csv |
4OYO-1WC | data/4O/4OYO-1WC/4OYO-1WC_ligand.pdbqt | data/4O/4OYO-1WC/4OYO-1WC_target.pdbqt | data/4O/4OYO-1WC/4OYO-1WC_decoys.pdbqt | data/4O/4OYO-1WC/4OYO-1WC_decoy_scores.csv |
4O8G-LBV | data/4O/4O8G-LBV/4O8G-LBV_ligand.pdbqt | data/4O/4O8G-LBV/4O8G-LBV_target.pdbqt | data/4O/4O8G-LBV/4O8G-LBV_decoys.pdbqt | data/4O/4O8G-LBV/4O8G-LBV_decoy_scores.csv |
4OA7-2XS | data/4O/4OA7-2XS/4OA7-2XS_ligand.pdbqt | data/4O/4OA7-2XS/4OA7-2XS_target.pdbqt | data/4O/4OA7-2XS/4OA7-2XS_decoys.pdbqt | data/4O/4OA7-2XS/4OA7-2XS_decoy_scores.csv |
4O7D-ONL | data/4O/4O7D-ONL/4O7D-ONL_ligand.pdbqt | data/4O/4O7D-ONL/4O7D-ONL_target.pdbqt | data/4O/4O7D-ONL/4O7D-ONL_decoys.pdbqt | data/4O/4O7D-ONL/4O7D-ONL_decoy_scores.csv |
4OYR-1US | data/4O/4OYR-1US/4OYR-1US_ligand.pdbqt | data/4O/4OYR-1US/4OYR-1US_target.pdbqt | data/4O/4OYR-1US/4OYR-1US_decoys.pdbqt | data/4O/4OYR-1US/4OYR-1US_decoy_scores.csv |
4O91-NG2 | data/4O/4O91-NG2/4O91-NG2_ligand.pdbqt | data/4O/4O91-NG2/4O91-NG2_target.pdbqt | data/4O/4O91-NG2/4O91-NG2_decoys.pdbqt | data/4O/4O91-NG2/4O91-NG2_decoy_scores.csv |
4OGU-210 | data/4O/4OGU-210/4OGU-210_ligand.pdbqt | data/4O/4OGU-210/4OGU-210_target.pdbqt | data/4O/4OGU-210/4OGU-210_decoys.pdbqt | data/4O/4OGU-210/4OGU-210_decoy_scores.csv |
4OQN-EDU | data/4O/4OQN-EDU/4OQN-EDU_ligand.pdbqt | data/4O/4OQN-EDU/4OQN-EDU_target.pdbqt | data/4O/4OQN-EDU/4OQN-EDU_decoys.pdbqt | data/4O/4OQN-EDU/4OQN-EDU_decoy_scores.csv |
4ODG-THP | data/4O/4ODG-THP/4ODG-THP_ligand.pdbqt | data/4O/4ODG-THP/4ODG-THP_target.pdbqt | data/4O/4ODG-THP/4ODG-THP_decoys.pdbqt | data/4O/4ODG-THP/4ODG-THP_decoy_scores.csv |
4O1M-NAD | data/4O/4O1M-NAD/4O1M-NAD_ligand.pdbqt | data/4O/4O1M-NAD/4O1M-NAD_target.pdbqt | data/4O/4O1M-NAD/4O1M-NAD_decoys.pdbqt | data/4O/4O1M-NAD/4O1M-NAD_decoy_scores.csv |
4OV0-RET | data/4O/4OV0-RET/4OV0-RET_ligand.pdbqt | data/4O/4OV0-RET/4OV0-RET_target.pdbqt | data/4O/4OV0-RET/4OV0-RET_decoys.pdbqt | data/4O/4OV0-RET/4OV0-RET_decoy_scores.csv |
4O83-ADP | data/4O/4O83-ADP/4O83-ADP_ligand.pdbqt | data/4O/4O83-ADP/4O83-ADP_target.pdbqt | data/4O/4O83-ADP/4O83-ADP_decoys.pdbqt | data/4O/4O83-ADP/4O83-ADP_decoy_scores.csv |
4OYT-FON | data/4O/4OYT-FON/4OYT-FON_ligand.pdbqt | data/4O/4OYT-FON/4OYT-FON_target.pdbqt | data/4O/4OYT-FON/4OYT-FON_decoys.pdbqt | data/4O/4OYT-FON/4OYT-FON_decoy_scores.csv |
4OP9-AZA | data/4O/4OP9-AZA/4OP9-AZA_ligand.pdbqt | data/4O/4OP9-AZA/4OP9-AZA_target.pdbqt | data/4O/4OP9-AZA/4OP9-AZA_decoys.pdbqt | data/4O/4OP9-AZA/4OP9-AZA_decoy_scores.csv |
4O1B-DGB | data/4O/4O1B-DGB/4O1B-DGB_ligand.pdbqt | data/4O/4O1B-DGB/4O1B-DGB_target.pdbqt | data/4O/4O1B-DGB/4O1B-DGB_decoys.pdbqt | data/4O/4O1B-DGB/4O1B-DGB_decoy_scores.csv |
4OFU-DHT | data/4O/4OFU-DHT/4OFU-DHT_ligand.pdbqt | data/4O/4OFU-DHT/4OFU-DHT_target.pdbqt | data/4O/4OFU-DHT/4OFU-DHT_decoys.pdbqt | data/4O/4OFU-DHT/4OFU-DHT_decoy_scores.csv |
4OQV-FMN | data/4O/4OQV-FMN/4OQV-FMN_ligand.pdbqt | data/4O/4OQV-FMN/4OQV-FMN_target.pdbqt | data/4O/4OQV-FMN/4OQV-FMN_decoys.pdbqt | data/4O/4OQV-FMN/4OQV-FMN_decoy_scores.csv |
4O2A-2RR | data/4O/4O2A-2RR/4O2A-2RR_ligand.pdbqt | data/4O/4O2A-2RR/4O2A-2RR_target.pdbqt | data/4O/4O2A-2RR/4O2A-2RR_decoys.pdbqt | data/4O/4O2A-2RR/4O2A-2RR_decoy_scores.csv |
4O1D-DGB | data/4O/4O1D-DGB/4O1D-DGB_ligand.pdbqt | data/4O/4O1D-DGB/4O1D-DGB_target.pdbqt | data/4O/4O1D-DGB/4O1D-DGB_decoys.pdbqt | data/4O/4O1D-DGB/4O1D-DGB_decoy_scores.csv |
4OMA-LCS | data/4O/4OMA-LCS/4OMA-LCS_ligand.pdbqt | data/4O/4OMA-LCS/4OMA-LCS_target.pdbqt | data/4O/4OMA-LCS/4OMA-LCS_decoys.pdbqt | data/4O/4OMA-LCS/4OMA-LCS_decoy_scores.csv |
4O1L-HO4 | data/4O/4O1L-HO4/4O1L-HO4_ligand.pdbqt | data/4O/4O1L-HO4/4O1L-HO4_target.pdbqt | data/4O/4O1L-HO4/4O1L-HO4_decoys.pdbqt | data/4O/4O1L-HO4/4O1L-HO4_decoy_scores.csv |
4O6E-2SH | data/4O/4O6E-2SH/4O6E-2SH_ligand.pdbqt | data/4O/4O6E-2SH/4O6E-2SH_target.pdbqt | data/4O/4O6E-2SH/4O6E-2SH_decoys.pdbqt | data/4O/4O6E-2SH/4O6E-2SH_decoy_scores.csv |
4O3B-GLU | data/4O/4O3B-GLU/4O3B-GLU_ligand.pdbqt | data/4O/4O3B-GLU/4O3B-GLU_target.pdbqt | data/4O/4O3B-GLU/4O3B-GLU_decoys.pdbqt | data/4O/4O3B-GLU/4O3B-GLU_decoy_scores.csv |
4OFG-PCG | data/4O/4OFG-PCG/4OFG-PCG_ligand.pdbqt | data/4O/4OFG-PCG/4OFG-PCG_target.pdbqt | data/4O/4OFG-PCG/4OFG-PCG_decoys.pdbqt | data/4O/4OFG-PCG/4OFG-PCG_decoy_scores.csv |
4OPP-11Z | data/4O/4OPP-11Z/4OPP-11Z_ligand.pdbqt | data/4O/4OPP-11Z/4OPP-11Z_target.pdbqt | data/4O/4OPP-11Z/4OPP-11Z_decoys.pdbqt | data/4O/4OPP-11Z/4OPP-11Z_decoy_scores.csv |
4OCV-NDG | data/4O/4OCV-NDG/4OCV-NDG_ligand.pdbqt | data/4O/4OCV-NDG/4OCV-NDG_target.pdbqt | data/4O/4OCV-NDG/4OCV-NDG_decoys.pdbqt | data/4O/4OCV-NDG/4OCV-NDG_decoy_scores.csv |
4OPM-PE4 | data/4O/4OPM-PE4/4OPM-PE4_ligand.pdbqt | data/4O/4OPM-PE4/4OPM-PE4_target.pdbqt | data/4O/4OPM-PE4/4OPM-PE4_decoys.pdbqt | data/4O/4OPM-PE4/4OPM-PE4_decoy_scores.csv |
4OLH-2TO | data/4O/4OLH-2TO/4OLH-2TO_ligand.pdbqt | data/4O/4OLH-2TO/4OLH-2TO_target.pdbqt | data/4O/4OLH-2TO/4OLH-2TO_decoys.pdbqt | data/4O/4OLH-2TO/4OLH-2TO_decoy_scores.csv |
4OTV-GTP | data/4O/4OTV-GTP/4OTV-GTP_ligand.pdbqt | data/4O/4OTV-GTP/4OTV-GTP_target.pdbqt | data/4O/4OTV-GTP/4OTV-GTP_decoys.pdbqt | data/4O/4OTV-GTP/4OTV-GTP_decoy_scores.csv |
4O83-AMP | data/4O/4O83-AMP/4O83-AMP_ligand.pdbqt | data/4O/4O83-AMP/4O83-AMP_target.pdbqt | data/4O/4O83-AMP/4O83-AMP_decoys.pdbqt | data/4O/4O83-AMP/4O83-AMP_decoy_scores.csv |
4O4I-GTP | data/4O/4O4I-GTP/4O4I-GTP_ligand.pdbqt | data/4O/4O4I-GTP/4O4I-GTP_target.pdbqt | data/4O/4O4I-GTP/4O4I-GTP_decoys.pdbqt | data/4O/4O4I-GTP/4O4I-GTP_decoy_scores.csv |
4OX2-GTP | data/4O/4OX2-GTP/4OX2-GTP_ligand.pdbqt | data/4O/4OX2-GTP/4OX2-GTP_target.pdbqt | data/4O/4OX2-GTP/4OX2-GTP_decoys.pdbqt | data/4O/4OX2-GTP/4OX2-GTP_decoy_scores.csv |
4OGU-IPE | data/4O/4OGU-IPE/4OGU-IPE_ligand.pdbqt | data/4O/4OGU-IPE/4OGU-IPE_target.pdbqt | data/4O/4OGU-IPE/4OGU-IPE_decoys.pdbqt | data/4O/4OGU-IPE/4OGU-IPE_decoy_scores.csv |
4O9K-CMK | data/4O/4O9K-CMK/4O9K-CMK_ligand.pdbqt | data/4O/4O9K-CMK/4O9K-CMK_target.pdbqt | data/4O/4O9K-CMK/4O9K-CMK_decoys.pdbqt | data/4O/4O9K-CMK/4O9K-CMK_decoy_scores.csv |
4O74-R78 | data/4O/4O74-R78/4O74-R78_ligand.pdbqt | data/4O/4O74-R78/4O74-R78_target.pdbqt | data/4O/4O74-R78/4O74-R78_decoys.pdbqt | data/4O/4O74-R78/4O74-R78_decoy_scores.csv |
4O7Y-C5P | data/4O/4O7Y-C5P/4O7Y-C5P_ligand.pdbqt | data/4O/4O7Y-C5P/4O7Y-C5P_target.pdbqt | data/4O/4O7Y-C5P/4O7Y-C5P_decoys.pdbqt | data/4O/4O7Y-C5P/4O7Y-C5P_decoy_scores.csv |
4O71-CPB | data/4O/4O71-CPB/4O71-CPB_ligand.pdbqt | data/4O/4O71-CPB/4O71-CPB_target.pdbqt | data/4O/4O71-CPB/4O71-CPB_decoys.pdbqt | data/4O/4O71-CPB/4O71-CPB_decoy_scores.csv |
4O59-NAD | data/4O/4O59-NAD/4O59-NAD_ligand.pdbqt | data/4O/4O59-NAD/4O59-NAD_target.pdbqt | data/4O/4O59-NAD/4O59-NAD_decoys.pdbqt | data/4O/4O59-NAD/4O59-NAD_decoy_scores.csv |
4O8R-H2U | data/4O/4O8R-H2U/4O8R-H2U_ligand.pdbqt | data/4O/4O8R-H2U/4O8R-H2U_target.pdbqt | data/4O/4O8R-H2U/4O8R-H2U_decoys.pdbqt | data/4O/4O8R-H2U/4O8R-H2U_decoy_scores.csv |
4OSO-2V4 | data/4O/4OSO-2V4/4OSO-2V4_ligand.pdbqt | data/4O/4OSO-2V4/4OSO-2V4_target.pdbqt | data/4O/4OSO-2V4/4OSO-2V4_decoys.pdbqt | data/4O/4OSO-2V4/4OSO-2V4_decoy_scores.csv |
4OBP-2QU | data/4O/4OBP-2QU/4OBP-2QU_ligand.pdbqt | data/4O/4OBP-2QU/4OBP-2QU_target.pdbqt | data/4O/4OBP-2QU/4OBP-2QU_decoys.pdbqt | data/4O/4OBP-2QU/4OBP-2QU_decoy_scores.csv |
4OAG-ADP | data/4O/4OAG-ADP/4OAG-ADP_ligand.pdbqt | data/4O/4OAG-ADP/4OAG-ADP_target.pdbqt | data/4O/4OAG-ADP/4OAG-ADP_decoys.pdbqt | data/4O/4OAG-ADP/4OAG-ADP_decoy_scores.csv |
4O79-ASC | data/4O/4O79-ASC/4O79-ASC_ligand.pdbqt | data/4O/4O79-ASC/4O79-ASC_target.pdbqt | data/4O/4O79-ASC/4O79-ASC_decoys.pdbqt | data/4O/4O79-ASC/4O79-ASC_decoy_scores.csv |
4OEA-DHT | data/4O/4OEA-DHT/4OEA-DHT_ligand.pdbqt | data/4O/4OEA-DHT/4OEA-DHT_target.pdbqt | data/4O/4OEA-DHT/4OEA-DHT_decoys.pdbqt | data/4O/4OEA-DHT/4OEA-DHT_decoy_scores.csv |
4OQL-F2U | data/4O/4OQL-F2U/4OQL-F2U_ligand.pdbqt | data/4O/4OQL-F2U/4OQL-F2U_target.pdbqt | data/4O/4OQL-F2U/4OQL-F2U_decoys.pdbqt | data/4O/4OQL-F2U/4OQL-F2U_decoy_scores.csv |
4OQV-ORO | data/4O/4OQV-ORO/4OQV-ORO_ligand.pdbqt | data/4O/4OQV-ORO/4OQV-ORO_target.pdbqt | data/4O/4OQV-ORO/4OQV-ORO_decoys.pdbqt | data/4O/4OQV-ORO/4OQV-ORO_decoy_scores.csv |
4O4E-ATP | data/4O/4O4E-ATP/4O4E-ATP_ligand.pdbqt | data/4O/4O4E-ATP/4O4E-ATP_target.pdbqt | data/4O/4O4E-ATP/4O4E-ATP_decoys.pdbqt | data/4O/4O4E-ATP/4O4E-ATP_decoy_scores.csv |
4OU2-6OA | data/4O/4OU2-6OA/4OU2-6OA_ligand.pdbqt | data/4O/4OU2-6OA/4OU2-6OA_target.pdbqt | data/4O/4OU2-6OA/4OU2-6OA_decoys.pdbqt | data/4O/4OU2-6OA/4OU2-6OA_decoy_scores.csv |
4OTQ-2V2 | data/4O/4OTQ-2V2/4OTQ-2V2_ligand.pdbqt | data/4O/4OTQ-2V2/4OTQ-2V2_target.pdbqt | data/4O/4OTQ-2V2/4OTQ-2V2_decoys.pdbqt | data/4O/4OTQ-2V2/4OTQ-2V2_decoy_scores.csv |
4OKZ-3E9 | data/4O/4OKZ-3E9/4OKZ-3E9_ligand.pdbqt | data/4O/4OKZ-3E9/4OKZ-3E9_target.pdbqt | data/4O/4OKZ-3E9/4OKZ-3E9_decoys.pdbqt | data/4O/4OKZ-3E9/4OKZ-3E9_decoy_scores.csv |
4O4H-ACP | data/4O/4O4H-ACP/4O4H-ACP_ligand.pdbqt | data/4O/4O4H-ACP/4O4H-ACP_target.pdbqt | data/4O/4O4H-ACP/4O4H-ACP_decoys.pdbqt | data/4O/4O4H-ACP/4O4H-ACP_decoy_scores.csv |
4O4J-ACP | data/4O/4O4J-ACP/4O4J-ACP_ligand.pdbqt | data/4O/4O4J-ACP/4O4J-ACP_target.pdbqt | data/4O/4O4J-ACP/4O4J-ACP_decoys.pdbqt | data/4O/4O4J-ACP/4O4J-ACP_decoy_scores.csv |
4OEO-12P | data/4O/4OEO-12P/4OEO-12P_ligand.pdbqt | data/4O/4OEO-12P/4OEO-12P_target.pdbqt | data/4O/4OEO-12P/4OEO-12P_decoys.pdbqt | data/4O/4OEO-12P/4OEO-12P_decoy_scores.csv |
4OSD-PLM | data/4O/4OSD-PLM/4OSD-PLM_ligand.pdbqt | data/4O/4OSD-PLM/4OSD-PLM_target.pdbqt | data/4O/4OSD-PLM/4OSD-PLM_decoys.pdbqt | data/4O/4OSD-PLM/4OSD-PLM_decoy_scores.csv |
4O6N-MPG | data/4O/4O6N-MPG/4O6N-MPG_ligand.pdbqt | data/4O/4O6N-MPG/4O6N-MPG_target.pdbqt | data/4O/4O6N-MPG/4O6N-MPG_decoys.pdbqt | data/4O/4O6N-MPG/4O6N-MPG_decoy_scores.csv |
4O0B-2QA | data/4O/4O0B-2QA/4O0B-2QA_ligand.pdbqt | data/4O/4O0B-2QA/4O0B-2QA_target.pdbqt | data/4O/4O0B-2QA/4O0B-2QA_decoys.pdbqt | data/4O/4O0B-2QA/4O0B-2QA_decoy_scores.csv |
4ONM-N2F | data/4O/4ONM-N2F/4ONM-N2F_ligand.pdbqt | data/4O/4ONM-N2F/4ONM-N2F_target.pdbqt | data/4O/4ONM-N2F/4ONM-N2F_decoys.pdbqt | data/4O/4ONM-N2F/4ONM-N2F_decoy_scores.csv |
4OQE-MMF | data/4O/4OQE-MMF/4OQE-MMF_ligand.pdbqt | data/4O/4OQE-MMF/4OQE-MMF_target.pdbqt | data/4O/4OQE-MMF/4OQE-MMF_decoys.pdbqt | data/4O/4OQE-MMF/4OQE-MMF_decoy_scores.csv |
4ONN-BY1 | data/4O/4ONN-BY1/4ONN-BY1_ligand.pdbqt | data/4O/4ONN-BY1/4ONN-BY1_target.pdbqt | data/4O/4ONN-BY1/4ONN-BY1_decoys.pdbqt | data/4O/4ONN-BY1/4ONN-BY1_decoy_scores.csv |
4OKN-KAN | data/4O/4OKN-KAN/4OKN-KAN_ligand.pdbqt | data/4O/4OKN-KAN/4OKN-KAN_target.pdbqt | data/4O/4OKN-KAN/4OKN-KAN_decoys.pdbqt | data/4O/4OKN-KAN/4OKN-KAN_decoy_scores.csv |
4O24-2Q0 | data/4O/4O24-2Q0/4O24-2Q0_ligand.pdbqt | data/4O/4O24-2Q0/4O24-2Q0_target.pdbqt | data/4O/4O24-2Q0/4O24-2Q0_decoys.pdbqt | data/4O/4O24-2Q0/4O24-2Q0_decoy_scores.csv |
4OHB-5HM | data/4O/4OHB-5HM/4OHB-5HM_ligand.pdbqt | data/4O/4OHB-5HM/4OHB-5HM_target.pdbqt | data/4O/4OHB-5HM/4OHB-5HM_decoys.pdbqt | data/4O/4OHB-5HM/4OHB-5HM_decoy_scores.csv |
4OK5-2T2 | data/4O/4OK5-2T2/4OK5-2T2_ligand.pdbqt | data/4O/4OK5-2T2/4OK5-2T2_target.pdbqt | data/4O/4OK5-2T2/4OK5-2T2_decoys.pdbqt | data/4O/4OK5-2T2/4OK5-2T2_decoy_scores.csv |
4O5B-LF9 | data/4O/4O5B-LF9/4O5B-LF9_ligand.pdbqt | data/4O/4O5B-LF9/4O5B-LF9_target.pdbqt | null | null |
4O2R-GDP | data/4O/4O2R-GDP/4O2R-GDP_ligand.pdbqt | data/4O/4O2R-GDP/4O2R-GDP_target.pdbqt | data/4O/4O2R-GDP/4O2R-GDP_decoys.pdbqt | data/4O/4O2R-GDP/4O2R-GDP_decoy_scores.csv |
4O7G-ASC | data/4O/4O7G-ASC/4O7G-ASC_ligand.pdbqt | data/4O/4O7G-ASC/4O7G-ASC_target.pdbqt | data/4O/4O7G-ASC/4O7G-ASC_decoys.pdbqt | data/4O/4O7G-ASC/4O7G-ASC_decoy_scores.csv |
4OT7-FMN | data/4O/4OT7-FMN/4OT7-FMN_ligand.pdbqt | data/4O/4OT7-FMN/4OT7-FMN_target.pdbqt | data/4O/4OT7-FMN/4OT7-FMN_decoys.pdbqt | data/4O/4OT7-FMN/4OT7-FMN_decoy_scores.csv |
4OKN-NAI | data/4O/4OKN-NAI/4OKN-NAI_ligand.pdbqt | data/4O/4OKN-NAI/4OKN-NAI_target.pdbqt | data/4O/4OKN-NAI/4OKN-NAI_decoys.pdbqt | data/4O/4OKN-NAI/4OKN-NAI_decoy_scores.csv |
4OWU-5M0 | data/4O/4OWU-5M0/4OWU-5M0_ligand.pdbqt | data/4O/4OWU-5M0/4OWU-5M0_target.pdbqt | data/4O/4OWU-5M0/4OWU-5M0_decoys.pdbqt | data/4O/4OWU-5M0/4OWU-5M0_decoy_scores.csv |
4OBQ-2QT | data/4O/4OBQ-2QT/4OBQ-2QT_ligand.pdbqt | data/4O/4OBQ-2QT/4OBQ-2QT_target.pdbqt | data/4O/4OBQ-2QT/4OBQ-2QT_decoys.pdbqt | data/4O/4OBQ-2QT/4OBQ-2QT_decoy_scores.csv |
4O7V-ADP | data/4O/4O7V-ADP/4O7V-ADP_ligand.pdbqt | data/4O/4O7V-ADP/4O7V-ADP_target.pdbqt | data/4O/4O7V-ADP/4O7V-ADP_decoys.pdbqt | data/4O/4O7V-ADP/4O7V-ADP_decoy_scores.csv |
4OSD-STE | data/4O/4OSD-STE/4OSD-STE_ligand.pdbqt | data/4O/4OSD-STE/4OSD-STE_target.pdbqt | data/4O/4OSD-STE/4OSD-STE_decoys.pdbqt | data/4O/4OSD-STE/4OSD-STE_decoy_scores.csv |
4ORM-FMN | data/4O/4ORM-FMN/4ORM-FMN_ligand.pdbqt | data/4O/4ORM-FMN/4ORM-FMN_target.pdbqt | data/4O/4ORM-FMN/4ORM-FMN_decoys.pdbqt | data/4O/4ORM-FMN/4ORM-FMN_decoy_scores.csv |
4OZL-AMP | data/4O/4OZL-AMP/4OZL-AMP_ligand.pdbqt | data/4O/4OZL-AMP/4OZL-AMP_target.pdbqt | data/4O/4OZL-AMP/4OZL-AMP_decoys.pdbqt | data/4O/4OZL-AMP/4OZL-AMP_decoy_scores.csv |
4O4H-LLM | data/4O/4O4H-LLM/4O4H-LLM_ligand.pdbqt | data/4O/4O4H-LLM/4O4H-LLM_target.pdbqt | data/4O/4O4H-LLM/4O4H-LLM_decoys.pdbqt | data/4O/4O4H-LLM/4O4H-LLM_decoy_scores.csv |
4OIV-XX9 | data/4O/4OIV-XX9/4OIV-XX9_ligand.pdbqt | data/4O/4OIV-XX9/4OIV-XX9_target.pdbqt | data/4O/4OIV-XX9/4OIV-XX9_decoys.pdbqt | data/4O/4OIV-XX9/4OIV-XX9_decoy_scores.csv |
4OQD-QDM | data/4O/4OQD-QDM/4OQD-QDM_ligand.pdbqt | data/4O/4OQD-QDM/4OQD-QDM_target.pdbqt | data/4O/4OQD-QDM/4OQD-QDM_decoys.pdbqt | data/4O/4OQD-QDM/4OQD-QDM_decoy_scores.csv |
4OHU-2TK | data/4O/4OHU-2TK/4OHU-2TK_ligand.pdbqt | data/4O/4OHU-2TK/4OHU-2TK_target.pdbqt | data/4O/4OHU-2TK/4OHU-2TK_decoys.pdbqt | data/4O/4OHU-2TK/4OHU-2TK_decoy_scores.csv |
4OWO-PRP | data/4O/4OWO-PRP/4OWO-PRP_ligand.pdbqt | data/4O/4OWO-PRP/4OWO-PRP_target.pdbqt | data/4O/4OWO-PRP/4OWO-PRP_decoys.pdbqt | data/4O/4OWO-PRP/4OWO-PRP_decoy_scores.csv |
4OOF-FOM | data/4O/4OOF-FOM/4OOF-FOM_ligand.pdbqt | data/4O/4OOF-FOM/4OOF-FOM_target.pdbqt | data/4O/4OOF-FOM/4OOF-FOM_decoys.pdbqt | data/4O/4OOF-FOM/4OOF-FOM_decoy_scores.csv |
4OWM-3F0 | data/4O/4OWM-3F0/4OWM-3F0_ligand.pdbqt | data/4O/4OWM-3F0/4OWM-3F0_target.pdbqt | data/4O/4OWM-3F0/4OWM-3F0_decoys.pdbqt | data/4O/4OWM-3F0/4OWM-3F0_decoy_scores.csv |
4O97-NTX | data/4O/4O97-NTX/4O97-NTX_ligand.pdbqt | data/4O/4O97-NTX/4O97-NTX_target.pdbqt | data/4O/4O97-NTX/4O97-NTX_decoys.pdbqt | data/4O/4O97-NTX/4O97-NTX_decoy_scores.csv |
4OBE-GDP | data/4O/4OBE-GDP/4OBE-GDP_ligand.pdbqt | data/4O/4OBE-GDP/4OBE-GDP_target.pdbqt | data/4O/4OBE-GDP/4OBE-GDP_decoys.pdbqt | data/4O/4OBE-GDP/4OBE-GDP_decoy_scores.csv |
4OUB-NAD | data/4O/4OUB-NAD/4OUB-NAD_ligand.pdbqt | data/4O/4OUB-NAD/4OUB-NAD_target.pdbqt | data/4O/4OUB-NAD/4OUB-NAD_decoys.pdbqt | data/4O/4OUB-NAD/4OUB-NAD_decoy_scores.csv |
4OUE-IPT | data/4O/4OUE-IPT/4OUE-IPT_ligand.pdbqt | data/4O/4OUE-IPT/4OUE-IPT_target.pdbqt | data/4O/4OUE-IPT/4OUE-IPT_decoys.pdbqt | data/4O/4OUE-IPT/4OUE-IPT_decoy_scores.csv |
4O30-SAH | data/4O/4O30-SAH/4O30-SAH_ligand.pdbqt | data/4O/4O30-SAH/4O30-SAH_target.pdbqt | data/4O/4O30-SAH/4O30-SAH_decoys.pdbqt | data/4O/4O30-SAH/4O30-SAH_decoy_scores.csv |
4OXY-NAD | data/4O/4OXY-NAD/4OXY-NAD_ligand.pdbqt | data/4O/4OXY-NAD/4OXY-NAD_target.pdbqt | data/4O/4OXY-NAD/4OXY-NAD_decoys.pdbqt | data/4O/4OXY-NAD/4OXY-NAD_decoy_scores.csv |
4OWK-NGA | data/4O/4OWK-NGA/4OWK-NGA_ligand.pdbqt | data/4O/4OWK-NGA/4OWK-NGA_target.pdbqt | data/4O/4OWK-NGA/4OWK-NGA_decoys.pdbqt | data/4O/4OWK-NGA/4OWK-NGA_decoy_scores.csv |
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