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 ⌀ |
|---|---|---|---|---|
8DOY-T1X | data/8D/8DOY-T1X/8DOY-T1X_ligand.pdbqt | data/8D/8DOY-T1X/8DOY-T1X_target.pdbqt | data/8D/8DOY-T1X/8DOY-T1X_decoys.pdbqt | data/8D/8DOY-T1X/8DOY-T1X_decoy_scores.csv |
8DQI-T7Q | data/8D/8DQI-T7Q/8DQI-T7Q_ligand.pdbqt | data/8D/8DQI-T7Q/8DQI-T7Q_target.pdbqt | data/8D/8DQI-T7Q/8DQI-T7Q_decoys.pdbqt | data/8D/8DQI-T7Q/8DQI-T7Q_decoy_scores.csv |
8DT7-3VI | data/8D/8DT7-3VI/8DT7-3VI_ligand.pdbqt | data/8D/8DT7-3VI/8DT7-3VI_target.pdbqt | data/8D/8DT7-3VI/8DT7-3VI_decoys.pdbqt | data/8D/8DT7-3VI/8DT7-3VI_decoy_scores.csv |
8DUS-TWF | data/8D/8DUS-TWF/8DUS-TWF_ligand.pdbqt | data/8D/8DUS-TWF/8DUS-TWF_target.pdbqt | data/8D/8DUS-TWF/8DUS-TWF_decoys.pdbqt | data/8D/8DUS-TWF/8DUS-TWF_decoy_scores.csv |
8D6D-QGY | data/8D/8D6D-QGY/8D6D-QGY_ligand.pdbqt | data/8D/8D6D-QGY/8D6D-QGY_target.pdbqt | data/8D/8D6D-QGY/8D6D-QGY_decoys.pdbqt | data/8D/8D6D-QGY/8D6D-QGY_decoy_scores.csv |
8D6E-QGI | data/8D/8D6E-QGI/8D6E-QGI_ligand.pdbqt | data/8D/8D6E-QGI/8D6E-QGI_target.pdbqt | data/8D/8D6E-QGI/8D6E-QGI_decoys.pdbqt | data/8D/8D6E-QGI/8D6E-QGI_decoy_scores.csv |
8DQV-VK3 | data/8D/8DQV-VK3/8DQV-VK3_ligand.pdbqt | data/8D/8DQV-VK3/8DQV-VK3_target.pdbqt | data/8D/8DQV-VK3/8DQV-VK3_decoys.pdbqt | data/8D/8DQV-VK3/8DQV-VK3_decoy_scores.csv |
8DU8-TS7 | data/8D/8DU8-TS7/8DU8-TS7_ligand.pdbqt | data/8D/8DU8-TS7/8DU8-TS7_target.pdbqt | data/8D/8DU8-TS7/8DU8-TS7_decoys.pdbqt | data/8D/8DU8-TS7/8DU8-TS7_decoy_scores.csv |
8DCW-NDG | data/8D/8DCW-NDG/8DCW-NDG_ligand.pdbqt | data/8D/8DCW-NDG/8DCW-NDG_target.pdbqt | data/8D/8DCW-NDG/8DCW-NDG_decoys.pdbqt | data/8D/8DCW-NDG/8DCW-NDG_decoy_scores.csv |
8DBM-PRP | data/8D/8DBM-PRP/8DBM-PRP_ligand.pdbqt | data/8D/8DBM-PRP/8DBM-PRP_target.pdbqt | data/8D/8DBM-PRP/8DBM-PRP_decoys.pdbqt | data/8D/8DBM-PRP/8DBM-PRP_decoy_scores.csv |
8DEA-R7X | data/8D/8DEA-R7X/8DEA-R7X_ligand.pdbqt | data/8D/8DEA-R7X/8DEA-R7X_target.pdbqt | data/8D/8DEA-R7X/8DEA-R7X_decoys.pdbqt | data/8D/8DEA-R7X/8DEA-R7X_decoy_scores.csv |
8DE2-NXL | data/8D/8DE2-NXL/8DE2-NXL_ligand.pdbqt | data/8D/8DE2-NXL/8DE2-NXL_target.pdbqt | data/8D/8DE2-NXL/8DE2-NXL_decoys.pdbqt | data/8D/8DE2-NXL/8DE2-NXL_decoy_scores.csv |
8DAL-R6O | data/8D/8DAL-R6O/8DAL-R6O_ligand.pdbqt | data/8D/8DAL-R6O/8DAL-R6O_target.pdbqt | data/8D/8DAL-R6O/8DAL-R6O_decoys.pdbqt | data/8D/8DAL-R6O/8DAL-R6O_decoy_scores.csv |
8D1N-MC3 | data/8D/8D1N-MC3/8D1N-MC3_ligand.pdbqt | data/8D/8D1N-MC3/8D1N-MC3_target.pdbqt | data/8D/8D1N-MC3/8D1N-MC3_decoys.pdbqt | data/8D/8D1N-MC3/8D1N-MC3_decoy_scores.csv |
8DP2-PE8 | data/8D/8DP2-PE8/8DP2-PE8_ligand.pdbqt | data/8D/8DP2-PE8/8DP2-PE8_target.pdbqt | data/8D/8DP2-PE8/8DP2-PE8_decoys.pdbqt | data/8D/8DP2-PE8/8DP2-PE8_decoy_scores.csv |
8DC4-R3R | data/8D/8DC4-R3R/8DC4-R3R_ligand.pdbqt | data/8D/8DC4-R3R/8DC4-R3R_target.pdbqt | data/8D/8DC4-R3R/8DC4-R3R_decoys.pdbqt | data/8D/8DC4-R3R/8DC4-R3R_decoy_scores.csv |
8D39-QDB | data/8D/8D39-QDB/8D39-QDB_ligand.pdbqt | data/8D/8D39-QDB/8D39-QDB_target.pdbqt | data/8D/8D39-QDB/8D39-QDB_decoys.pdbqt | data/8D/8D39-QDB/8D39-QDB_decoy_scores.csv |
8DUB-TTU | data/8D/8DUB-TTU/8DUB-TTU_ligand.pdbqt | data/8D/8DUB-TTU/8DUB-TTU_target.pdbqt | data/8D/8DUB-TTU/8DUB-TTU_decoys.pdbqt | data/8D/8DUB-TTU/8DUB-TTU_decoy_scores.csv |
8DC6-R4F | data/8D/8DC6-R4F/8DC6-R4F_ligand.pdbqt | data/8D/8DC6-R4F/8DC6-R4F_target.pdbqt | data/8D/8DC6-R4F/8DC6-R4F_decoys.pdbqt | data/8D/8DC6-R4F/8DC6-R4F_decoy_scores.csv |
8DHF-ORO | data/8D/8DHF-ORO/8DHF-ORO_ligand.pdbqt | data/8D/8DHF-ORO/8DHF-ORO_target.pdbqt | data/8D/8DHF-ORO/8DHF-ORO_decoys.pdbqt | data/8D/8DHF-ORO/8DHF-ORO_decoy_scores.csv |
8DTJ-TKF | data/8D/8DTJ-TKF/8DTJ-TKF_ligand.pdbqt | data/8D/8DTJ-TKF/8DTJ-TKF_target.pdbqt | data/8D/8DTJ-TKF/8DTJ-TKF_decoys.pdbqt | data/8D/8DTJ-TKF/8DTJ-TKF_decoy_scores.csv |
8DYC-UC7 | data/8D/8DYC-UC7/8DYC-UC7_ligand.pdbqt | data/8D/8DYC-UC7/8DYC-UC7_target.pdbqt | data/8D/8DYC-UC7/8DYC-UC7_decoys.pdbqt | data/8D/8DYC-UC7/8DYC-UC7_decoy_scores.csv |
8DU9-TT5 | data/8D/8DU9-TT5/8DU9-TT5_ligand.pdbqt | data/8D/8DU9-TT5/8DU9-TT5_target.pdbqt | data/8D/8DU9-TT5/8DU9-TT5_decoys.pdbqt | data/8D/8DU9-TT5/8DU9-TT5_decoy_scores.csv |
3RMF-20Z | data/3R/3RMF-20Z/3RMF-20Z_ligand.pdbqt | data/3R/3RMF-20Z/3RMF-20Z_target.pdbqt | data/3R/3RMF-20Z/3RMF-20Z_decoys.pdbqt | data/3R/3RMF-20Z/3RMF-20Z_decoy_scores.csv |
3RQT-HIS | data/3R/3RQT-HIS/3RQT-HIS_ligand.pdbqt | data/3R/3RQT-HIS/3RQT-HIS_target.pdbqt | data/3R/3RQT-HIS/3RQT-HIS_decoys.pdbqt | data/3R/3RQT-HIS/3RQT-HIS_decoy_scores.csv |
3RTS-KLG | data/3R/3RTS-KLG/3RTS-KLG_ligand.pdbqt | data/3R/3RTS-KLG/3RTS-KLG_target.pdbqt | data/3R/3RTS-KLG/3RTS-KLG_decoys.pdbqt | data/3R/3RTS-KLG/3RTS-KLG_decoy_scores.csv |
3RQL-X2D | data/3R/3RQL-X2D/3RQL-X2D_ligand.pdbqt | data/3R/3RQL-X2D/3RQL-X2D_target.pdbqt | data/3R/3RQL-X2D/3RQL-X2D_decoys.pdbqt | data/3R/3RQL-X2D/3RQL-X2D_decoy_scores.csv |
3RUL-N1L | data/3R/3RUL-N1L/3RUL-N1L_ligand.pdbqt | data/3R/3RUL-N1L/3RUL-N1L_target.pdbqt | data/3R/3RUL-N1L/3RUL-N1L_decoys.pdbqt | data/3R/3RUL-N1L/3RUL-N1L_decoy_scores.csv |
3RTG-ATP | data/3R/3RTG-ATP/3RTG-ATP_ligand.pdbqt | data/3R/3RTG-ATP/3RTG-ATP_target.pdbqt | data/3R/3RTG-ATP/3RTG-ATP_decoys.pdbqt | data/3R/3RTG-ATP/3RTG-ATP_decoy_scores.csv |
3RUO-AG7 | data/3R/3RUO-AG7/3RUO-AG7_ligand.pdbqt | data/3R/3RUO-AG7/3RUO-AG7_target.pdbqt | data/3R/3RUO-AG7/3RUO-AG7_decoys.pdbqt | data/3R/3RUO-AG7/3RUO-AG7_decoy_scores.csv |
3RSQ-NAI | data/3R/3RSQ-NAI/3RSQ-NAI_ligand.pdbqt | data/3R/3RSQ-NAI/3RSQ-NAI_target.pdbqt | data/3R/3RSQ-NAI/3RSQ-NAI_decoys.pdbqt | data/3R/3RSQ-NAI/3RSQ-NAI_decoy_scores.csv |
3R91-06H | data/3R/3R91-06H/3R91-06H_ligand.pdbqt | data/3R/3R91-06H/3R91-06H_target.pdbqt | data/3R/3R91-06H/3R91-06H_decoys.pdbqt | data/3R/3R91-06H/3R91-06H_decoy_scores.csv |
3RN6-PXN | data/3R/3RN6-PXN/3RN6-PXN_ligand.pdbqt | data/3R/3RN6-PXN/3RN6-PXN_target.pdbqt | data/3R/3RN6-PXN/3RN6-PXN_decoys.pdbqt | data/3R/3RN6-PXN/3RN6-PXN_decoy_scores.csv |
3R43-ID8 | data/3R/3R43-ID8/3R43-ID8_ligand.pdbqt | data/3R/3R43-ID8/3R43-ID8_target.pdbqt | data/3R/3R43-ID8/3R43-ID8_decoys.pdbqt | data/3R/3R43-ID8/3R43-ID8_decoy_scores.csv |
3RTF-CWD | data/3R/3RTF-CWD/3RTF-CWD_ligand.pdbqt | data/3R/3RTF-CWD/3RTF-CWD_target.pdbqt | data/3R/3RTF-CWD/3RTF-CWD_decoys.pdbqt | data/3R/3RTF-CWD/3RTF-CWD_decoy_scores.csv |
3RK0-AMP | data/3R/3RK0-AMP/3RK0-AMP_ligand.pdbqt | data/3R/3RK0-AMP/3RK0-AMP_target.pdbqt | data/3R/3RK0-AMP/3RK0-AMP_decoys.pdbqt | data/3R/3RK0-AMP/3RK0-AMP_decoy_scores.csv |
3R88-PRP | data/3R/3R88-PRP/3R88-PRP_ligand.pdbqt | data/3R/3R88-PRP/3R88-PRP_target.pdbqt | data/3R/3R88-PRP/3R88-PRP_decoys.pdbqt | data/3R/3R88-PRP/3R88-PRP_decoy_scores.csv |
3RDB-5MZ | data/3R/3RDB-5MZ/3RDB-5MZ_ligand.pdbqt | data/3R/3RDB-5MZ/3RDB-5MZ_target.pdbqt | data/3R/3RDB-5MZ/3RDB-5MZ_decoys.pdbqt | data/3R/3RDB-5MZ/3RDB-5MZ_decoy_scores.csv |
3RRZ-GNP | data/3R/3RRZ-GNP/3RRZ-GNP_ligand.pdbqt | data/3R/3RRZ-GNP/3RRZ-GNP_target.pdbqt | data/3R/3RRZ-GNP/3RRZ-GNP_decoys.pdbqt | data/3R/3RRZ-GNP/3RRZ-GNP_decoy_scores.csv |
3RGA-ILD | data/3R/3RGA-ILD/3RGA-ILD_ligand.pdbqt | data/3R/3RGA-ILD/3RGA-ILD_target.pdbqt | data/3R/3RGA-ILD/3RGA-ILD_decoys.pdbqt | data/3R/3RGA-ILD/3RGA-ILD_decoy_scores.csv |
3RYI-GTP | data/3R/3RYI-GTP/3RYI-GTP_ligand.pdbqt | data/3R/3RYI-GTP/3RYI-GTP_target.pdbqt | data/3R/3RYI-GTP/3RYI-GTP_decoys.pdbqt | data/3R/3RYI-GTP/3RYI-GTP_decoy_scores.csv |
3RZ1-RZ1 | data/3R/3RZ1-RZ1/3RZ1-RZ1_ligand.pdbqt | data/3R/3RZ1-RZ1/3RZ1-RZ1_target.pdbqt | data/3R/3RZ1-RZ1/3RZ1-RZ1_decoys.pdbqt | data/3R/3RZ1-RZ1/3RZ1-RZ1_decoy_scores.csv |
3R8P-Z46 | data/3R/3R8P-Z46/3R8P-Z46_ligand.pdbqt | data/3R/3R8P-Z46/3R8P-Z46_target.pdbqt | data/3R/3R8P-Z46/3R8P-Z46_decoys.pdbqt | data/3R/3R8P-Z46/3R8P-Z46_decoy_scores.csv |
3R4S-SIA | data/3R/3R4S-SIA/3R4S-SIA_ligand.pdbqt | data/3R/3R4S-SIA/3R4S-SIA_target.pdbqt | data/3R/3R4S-SIA/3R4S-SIA_decoys.pdbqt | data/3R/3R4S-SIA/3R4S-SIA_decoy_scores.csv |
3RYE-UNR | data/3R/3RYE-UNR/3RYE-UNR_ligand.pdbqt | data/3R/3RYE-UNR/3RYE-UNR_target.pdbqt | data/3R/3RYE-UNR/3RYE-UNR_decoys.pdbqt | data/3R/3RYE-UNR/3RYE-UNR_decoy_scores.csv |
3RVG-17P | data/3R/3RVG-17P/3RVG-17P_ligand.pdbqt | data/3R/3RVG-17P/3RVG-17P_target.pdbqt | data/3R/3RVG-17P/3RVG-17P_decoys.pdbqt | data/3R/3RVG-17P/3RVG-17P_decoy_scores.csv |
3RAV-RAV | data/3R/3RAV-RAV/3RAV-RAV_ligand.pdbqt | data/3R/3RAV-RAV/3RAV-RAV_target.pdbqt | data/3R/3RAV-RAV/3RAV-RAV_decoys.pdbqt | data/3R/3RAV-RAV/3RAV-RAV_decoy_scores.csv |
3RN0-P6G | data/3R/3RN0-P6G/3RN0-P6G_ligand.pdbqt | data/3R/3RN0-P6G/3RN0-P6G_target.pdbqt | data/3R/3RN0-P6G/3RN0-P6G_decoys.pdbqt | data/3R/3RN0-P6G/3RN0-P6G_decoy_scores.csv |
3RY2-BTN | data/3R/3RY2-BTN/3RY2-BTN_ligand.pdbqt | data/3R/3RY2-BTN/3RY2-BTN_target.pdbqt | data/3R/3RY2-BTN/3RY2-BTN_decoys.pdbqt | data/3R/3RY2-BTN/3RY2-BTN_decoy_scores.csv |
3RNN-RNN | data/3R/3RNN-RNN/3RNN-RNN_ligand.pdbqt | data/3R/3RNN-RNN/3RNN-RNN_target.pdbqt | data/3R/3RNN-RNN/3RNN-RNN_decoys.pdbqt | data/3R/3RNN-RNN/3RNN-RNN_decoy_scores.csv |
3RF5-FUZ | data/3R/3RF5-FUZ/3RF5-FUZ_ligand.pdbqt | data/3R/3RF5-FUZ/3RF5-FUZ_target.pdbqt | data/3R/3RF5-FUZ/3RF5-FUZ_decoys.pdbqt | data/3R/3RF5-FUZ/3RF5-FUZ_decoy_scores.csv |
3R8M-Z19 | data/3R/3R8M-Z19/3R8M-Z19_ligand.pdbqt | data/3R/3R8M-Z19/3R8M-Z19_target.pdbqt | data/3R/3R8M-Z19/3R8M-Z19_decoys.pdbqt | data/3R/3R8M-Z19/3R8M-Z19_decoy_scores.csv |
3RIX-923 | data/3R/3RIX-923/3RIX-923_ligand.pdbqt | data/3R/3RIX-923/3RIX-923_target.pdbqt | data/3R/3RIX-923/3RIX-923_decoys.pdbqt | data/3R/3RIX-923/3RIX-923_decoy_scores.csv |
3RSG-APR | data/3R/3RSG-APR/3RSG-APR_ligand.pdbqt | data/3R/3RSG-APR/3RSG-APR_target.pdbqt | data/3R/3RSG-APR/3RSG-APR_decoys.pdbqt | data/3R/3RSG-APR/3RSG-APR_decoy_scores.csv |
3RDD-EA4 | data/3R/3RDD-EA4/3RDD-EA4_ligand.pdbqt | data/3R/3RDD-EA4/3RDD-EA4_target.pdbqt | data/3R/3RDD-EA4/3RDD-EA4_decoys.pdbqt | data/3R/3RDD-EA4/3RDD-EA4_decoy_scores.csv |
3R83-Z14 | data/3R/3R83-Z14/3R83-Z14_ligand.pdbqt | data/3R/3R83-Z14/3R83-Z14_target.pdbqt | data/3R/3R83-Z14/3R83-Z14_decoys.pdbqt | data/3R/3R83-Z14/3R83-Z14_decoy_scores.csv |
3RX7-G3I | data/3R/3RX7-G3I/3RX7-G3I_ligand.pdbqt | data/3R/3RX7-G3I/3RX7-G3I_target.pdbqt | data/3R/3RX7-G3I/3RX7-G3I_decoys.pdbqt | data/3R/3RX7-G3I/3RX7-G3I_decoy_scores.csv |
3RAI-X85 | data/3R/3RAI-X85/3RAI-X85_ligand.pdbqt | data/3R/3RAI-X85/3RAI-X85_target.pdbqt | data/3R/3RAI-X85/3RAI-X85_decoys.pdbqt | data/3R/3RAI-X85/3RAI-X85_decoy_scores.csv |
3RNN-GLU | data/3R/3RNN-GLU/3RNN-GLU_ligand.pdbqt | data/3R/3RNN-GLU/3RNN-GLU_target.pdbqt | data/3R/3RNN-GLU/3RNN-GLU_decoys.pdbqt | data/3R/3RNN-GLU/3RNN-GLU_decoy_scores.csv |
3RYI-GDP | data/3R/3RYI-GDP/3RYI-GDP_ligand.pdbqt | data/3R/3RYI-GDP/3RYI-GDP_target.pdbqt | data/3R/3RYI-GDP/3RYI-GDP_decoys.pdbqt | data/3R/3RYI-GDP/3RYI-GDP_decoy_scores.csv |
3RZ0-RZ0 | data/3R/3RZ0-RZ0/3RZ0-RZ0_ligand.pdbqt | data/3R/3RZ0-RZ0/3RZ0-RZ0_target.pdbqt | data/3R/3RZ0-RZ0/3RZ0-RZ0_decoys.pdbqt | data/3R/3RZ0-RZ0/3RZ0-RZ0_decoy_scores.csv |
3RGN-MTN | data/3R/3RGN-MTN/3RGN-MTN_ligand.pdbqt | data/3R/3RGN-MTN/3RGN-MTN_target.pdbqt | data/3R/3RGN-MTN/3RGN-MTN_decoys.pdbqt | data/3R/3RGN-MTN/3RGN-MTN_decoy_scores.csv |
3RCL-5AO | data/3R/3RCL-5AO/3RCL-5AO_ligand.pdbqt | data/3R/3RCL-5AO/3RCL-5AO_target.pdbqt | data/3R/3RCL-5AO/3RCL-5AO_decoys.pdbqt | data/3R/3RCL-5AO/3RCL-5AO_decoy_scores.csv |
3RDO-BTN | data/3R/3RDO-BTN/3RDO-BTN_ligand.pdbqt | data/3R/3RDO-BTN/3RDO-BTN_target.pdbqt | data/3R/3RDO-BTN/3RDO-BTN_decoys.pdbqt | data/3R/3RDO-BTN/3RDO-BTN_decoy_scores.csv |
3RL6-AMP | data/3R/3RL6-AMP/3RL6-AMP_ligand.pdbqt | data/3R/3RL6-AMP/3RL6-AMP_target.pdbqt | data/3R/3RL6-AMP/3RL6-AMP_decoys.pdbqt | data/3R/3RL6-AMP/3RL6-AMP_decoy_scores.csv |
3RV7-RVB | data/3R/3RV7-RVB/3RV7-RVB_ligand.pdbqt | data/3R/3RV7-RVB/3RV7-RVB_target.pdbqt | data/3R/3RV7-RVB/3RV7-RVB_decoys.pdbqt | data/3R/3RV7-RVB/3RV7-RVB_decoy_scores.csv |
3RES-ADP | data/3R/3RES-ADP/3RES-ADP_ligand.pdbqt | data/3R/3RES-ADP/3RES-ADP_target.pdbqt | data/3R/3RES-ADP/3RES-ADP_decoys.pdbqt | data/3R/3RES-ADP/3RES-ADP_decoy_scores.csv |
3RWN-GLU | data/3R/3RWN-GLU/3RWN-GLU_ligand.pdbqt | data/3R/3RWN-GLU/3RWN-GLU_target.pdbqt | data/3R/3RWN-GLU/3RWN-GLU_decoys.pdbqt | data/3R/3RWN-GLU/3RWN-GLU_decoy_scores.csv |
3R02-UNM | data/3R/3R02-UNM/3R02-UNM_ligand.pdbqt | data/3R/3R02-UNM/3R02-UNM_target.pdbqt | data/3R/3R02-UNM/3R02-UNM_decoys.pdbqt | data/3R/3R02-UNM/3R02-UNM_decoy_scores.csv |
3R7Q-FAV | data/3R/3R7Q-FAV/3R7Q-FAV_ligand.pdbqt | data/3R/3R7Q-FAV/3R7Q-FAV_target.pdbqt | data/3R/3R7Q-FAV/3R7Q-FAV_decoys.pdbqt | data/3R/3R7Q-FAV/3R7Q-FAV_decoy_scores.csv |
3R71-X86 | data/3R/3R71-X86/3R71-X86_ligand.pdbqt | data/3R/3R71-X86/3R71-X86_target.pdbqt | data/3R/3R71-X86/3R71-X86_decoys.pdbqt | data/3R/3R71-X86/3R71-X86_decoy_scores.csv |
3R94-FLR | data/3R/3R94-FLR/3R94-FLR_ligand.pdbqt | data/3R/3R94-FLR/3R94-FLR_target.pdbqt | data/3R/3R94-FLR/3R94-FLR_decoys.pdbqt | data/3R/3R94-FLR/3R94-FLR_decoy_scores.csv |
3RMW-UPG | data/3R/3RMW-UPG/3RMW-UPG_ligand.pdbqt | data/3R/3RMW-UPG/3RMW-UPG_target.pdbqt | data/3R/3RMW-UPG/3RMW-UPG_decoys.pdbqt | data/3R/3RMW-UPG/3RMW-UPG_decoy_scores.csv |
3R6T-NHE | data/3R/3R6T-NHE/3R6T-NHE_ligand.pdbqt | data/3R/3R6T-NHE/3R6T-NHE_target.pdbqt | data/3R/3R6T-NHE/3R6T-NHE_decoys.pdbqt | data/3R/3R6T-NHE/3R6T-NHE_decoy_scores.csv |
3RYC-GTP | data/3R/3RYC-GTP/3RYC-GTP_ligand.pdbqt | data/3R/3RYC-GTP/3RYC-GTP_target.pdbqt | data/3R/3RYC-GTP/3RYC-GTP_decoys.pdbqt | data/3R/3RYC-GTP/3RYC-GTP_decoy_scores.csv |
3ROY-22Z | data/3R/3ROY-22Z/3ROY-22Z_ligand.pdbqt | data/3R/3ROY-22Z/3ROY-22Z_target.pdbqt | data/3R/3ROY-22Z/3ROY-22Z_decoys.pdbqt | data/3R/3ROY-22Z/3ROY-22Z_decoy_scores.csv |
3RYX-RYX | data/3R/3RYX-RYX/3RYX-RYX_ligand.pdbqt | data/3R/3RYX-RYX/3RYX-RYX_target.pdbqt | data/3R/3RYX-RYX/3RYX-RYX_decoys.pdbqt | data/3R/3RYX-RYX/3RYX-RYX_decoy_scores.csv |
3R56-P33 | data/3R/3R56-P33/3R56-P33_ligand.pdbqt | data/3R/3R56-P33/3R56-P33_target.pdbqt | data/3R/3R56-P33/3R56-P33_decoys.pdbqt | data/3R/3R56-P33/3R56-P33_decoy_scores.csv |
3RDE-OYP | data/3R/3RDE-OYP/3RDE-OYP_ligand.pdbqt | data/3R/3RDE-OYP/3RDE-OYP_target.pdbqt | data/3R/3RDE-OYP/3RDE-OYP_decoys.pdbqt | data/3R/3RDE-OYP/3RDE-OYP_decoy_scores.csv |
3R4M-WOE | data/3R/3R4M-WOE/3R4M-WOE_ligand.pdbqt | data/3R/3R4M-WOE/3R4M-WOE_target.pdbqt | data/3R/3R4M-WOE/3R4M-WOE_decoys.pdbqt | data/3R/3R4M-WOE/3R4M-WOE_decoy_scores.csv |
3R5I-3R5 | data/3R/3R5I-3R5/3R5I-3R5_ligand.pdbqt | data/3R/3R5I-3R5/3R5I-3R5_target.pdbqt | data/3R/3R5I-3R5/3R5I-3R5_decoys.pdbqt | data/3R/3R5I-3R5/3R5I-3R5_decoy_scores.csv |
3RIE-1PG | data/3R/3RIE-1PG/3RIE-1PG_ligand.pdbqt | data/3R/3RIE-1PG/3RIE-1PG_target.pdbqt | data/3R/3RIE-1PG/3RIE-1PG_decoys.pdbqt | data/3R/3RIE-1PG/3RIE-1PG_decoy_scores.csv |
3RCB-TLO | data/3R/3RCB-TLO/3RCB-TLO_ligand.pdbqt | data/3R/3RCB-TLO/3RCB-TLO_target.pdbqt | data/3R/3RCB-TLO/3RCB-TLO_decoys.pdbqt | data/3R/3RCB-TLO/3RCB-TLO_decoy_scores.csv |
3RIG-NHE | data/3R/3RIG-NHE/3RIG-NHE_ligand.pdbqt | data/3R/3RIG-NHE/3RIG-NHE_target.pdbqt | data/3R/3RIG-NHE/3RIG-NHE_decoys.pdbqt | data/3R/3RIG-NHE/3RIG-NHE_decoy_scores.csv |
3RCY-RIB | data/3R/3RCY-RIB/3RCY-RIB_ligand.pdbqt | data/3R/3RCY-RIB/3RCY-RIB_target.pdbqt | data/3R/3RCY-RIB/3RCY-RIB_decoys.pdbqt | data/3R/3RCY-RIB/3RCY-RIB_decoy_scores.csv |
3RC9-TLO | data/3R/3RC9-TLO/3RC9-TLO_ligand.pdbqt | data/3R/3RC9-TLO/3RC9-TLO_target.pdbqt | data/3R/3RC9-TLO/3RC9-TLO_decoys.pdbqt | data/3R/3RC9-TLO/3RC9-TLO_decoy_scores.csv |
3RPR-25Z | data/3R/3RPR-25Z/3RPR-25Z_ligand.pdbqt | data/3R/3RPR-25Z/3RPR-25Z_target.pdbqt | data/3R/3RPR-25Z/3RPR-25Z_decoys.pdbqt | data/3R/3RPR-25Z/3RPR-25Z_decoy_scores.csv |
3RZ8-RZ8 | data/3R/3RZ8-RZ8/3RZ8-RZ8_ligand.pdbqt | data/3R/3RZ8-RZ8/3RZ8-RZ8_target.pdbqt | data/3R/3RZ8-RZ8/3RZ8-RZ8_decoys.pdbqt | data/3R/3RZ8-RZ8/3RZ8-RZ8_decoy_scores.csv |
3RV6-VAE | data/3R/3RV6-VAE/3RV6-VAE_ligand.pdbqt | data/3R/3RV6-VAE/3RV6-VAE_target.pdbqt | data/3R/3RV6-VAE/3RV6-VAE_decoys.pdbqt | data/3R/3RV6-VAE/3RV6-VAE_decoy_scores.csv |
3RC2-TLO | data/3R/3RC2-TLO/3RC2-TLO_ligand.pdbqt | data/3R/3RC2-TLO/3RC2-TLO_target.pdbqt | data/3R/3RC2-TLO/3RC2-TLO_decoys.pdbqt | data/3R/3RC2-TLO/3RC2-TLO_decoy_scores.csv |
3R1N-05B | data/3R/3R1N-05B/3R1N-05B_ligand.pdbqt | data/3R/3R1N-05B/3R1N-05B_target.pdbqt | data/3R/3R1N-05B/3R1N-05B_decoys.pdbqt | data/3R/3R1N-05B/3R1N-05B_decoy_scores.csv |
3R6C-PRP | data/3R/3R6C-PRP/3R6C-PRP_ligand.pdbqt | data/3R/3R6C-PRP/3R6C-PRP_target.pdbqt | data/3R/3R6C-PRP/3R6C-PRP_decoys.pdbqt | data/3R/3R6C-PRP/3R6C-PRP_decoy_scores.csv |
3R5H-AIR | data/3R/3R5H-AIR/3R5H-AIR_ligand.pdbqt | data/3R/3R5H-AIR/3R5H-AIR_target.pdbqt | data/3R/3R5H-AIR/3R5H-AIR_decoys.pdbqt | data/3R/3R5H-AIR/3R5H-AIR_decoy_scores.csv |
3RQK-H4B | data/3R/3RQK-H4B/3RQK-H4B_ligand.pdbqt | data/3R/3RQK-H4B/3RQK-H4B_target.pdbqt | data/3R/3RQK-H4B/3RQK-H4B_decoys.pdbqt | data/3R/3RQK-H4B/3RQK-H4B_decoy_scores.csv |
3RUZ-THP | data/3R/3RUZ-THP/3RUZ-THP_ligand.pdbqt | data/3R/3RUZ-THP/3RUZ-THP_target.pdbqt | data/3R/3RUZ-THP/3RUZ-THP_decoys.pdbqt | data/3R/3RUZ-THP/3RUZ-THP_decoy_scores.csv |
3RAH-O1Z | data/3R/3RAH-O1Z/3RAH-O1Z_ligand.pdbqt | data/3R/3RAH-O1Z/3RAH-O1Z_target.pdbqt | data/3R/3RAH-O1Z/3RAH-O1Z_decoys.pdbqt | data/3R/3RAH-O1Z/3RAH-O1Z_decoy_scores.csv |
3RPH-AMP | data/3R/3RPH-AMP/3RPH-AMP_ligand.pdbqt | data/3R/3RPH-AMP/3RPH-AMP_target.pdbqt | data/3R/3RPH-AMP/3RPH-AMP_decoys.pdbqt | data/3R/3RPH-AMP/3RPH-AMP_decoy_scores.csv |
3RYZ-RYZ | data/3R/3RYZ-RYZ/3RYZ-RYZ_ligand.pdbqt | data/3R/3RYZ-RYZ/3RYZ-RYZ_target.pdbqt | data/3R/3RYZ-RYZ/3RYZ-RYZ_decoys.pdbqt | data/3R/3RYZ-RYZ/3RYZ-RYZ_decoy_scores.csv |
3RZ7-RZ7 | data/3R/3RZ7-RZ7/3RZ7-RZ7_ligand.pdbqt | data/3R/3RZ7-RZ7/3RZ7-RZ7_target.pdbqt | data/3R/3RZ7-RZ7/3RZ7-RZ7_decoys.pdbqt | data/3R/3RZ7-RZ7/3RZ7-RZ7_decoy_scores.csv |
3ROP-50A | data/3R/3ROP-50A/3ROP-50A_ligand.pdbqt | data/3R/3ROP-50A/3ROP-50A_target.pdbqt | data/3R/3ROP-50A/3ROP-50A_decoys.pdbqt | data/3R/3ROP-50A/3ROP-50A_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.