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 ⌀ |
|---|---|---|---|---|
3MW0-BHR | data/3M/3MW0-BHR/3MW0-BHR_ligand.pdbqt | data/3M/3MW0-BHR/3MW0-BHR_target.pdbqt | data/3M/3MW0-BHR/3MW0-BHR_decoys.pdbqt | data/3M/3MW0-BHR/3MW0-BHR_decoy_scores.csv |
3MDW-NFQ | data/3M/3MDW-NFQ/3MDW-NFQ_ligand.pdbqt | data/3M/3MDW-NFQ/3MDW-NFQ_target.pdbqt | data/3M/3MDW-NFQ/3MDW-NFQ_decoys.pdbqt | data/3M/3MDW-NFQ/3MDW-NFQ_decoy_scores.csv |
3MXD-K53 | data/3M/3MXD-K53/3MXD-K53_ligand.pdbqt | data/3M/3MXD-K53/3MXD-K53_target.pdbqt | data/3M/3MXD-K53/3MXD-K53_decoys.pdbqt | data/3M/3MXD-K53/3MXD-K53_decoy_scores.csv |
3M6B-1RG | data/3M/3M6B-1RG/3M6B-1RG_ligand.pdbqt | data/3M/3M6B-1RG/3M6B-1RG_target.pdbqt | data/3M/3M6B-1RG/3M6B-1RG_decoys.pdbqt | data/3M/3M6B-1RG/3M6B-1RG_decoy_scores.csv |
3MQG-UDP | data/3M/3MQG-UDP/3MQG-UDP_ligand.pdbqt | data/3M/3MQG-UDP/3MQG-UDP_target.pdbqt | data/3M/3MQG-UDP/3MQG-UDP_decoys.pdbqt | data/3M/3MQG-UDP/3MQG-UDP_decoy_scores.csv |
3MVW-BHZ | data/3M/3MVW-BHZ/3MVW-BHZ_ligand.pdbqt | data/3M/3MVW-BHZ/3MVW-BHZ_target.pdbqt | data/3M/3MVW-BHZ/3MVW-BHZ_decoys.pdbqt | data/3M/3MVW-BHZ/3MVW-BHZ_decoy_scores.csv |
3MDM-FJZ | data/3M/3MDM-FJZ/3MDM-FJZ_ligand.pdbqt | data/3M/3MDM-FJZ/3MDM-FJZ_target.pdbqt | data/3M/3MDM-FJZ/3MDM-FJZ_decoys.pdbqt | data/3M/3MDM-FJZ/3MDM-FJZ_decoy_scores.csv |
3MNQ-STL | data/3M/3MNQ-STL/3MNQ-STL_ligand.pdbqt | data/3M/3MNQ-STL/3MNQ-STL_target.pdbqt | null | null |
3MN5-ATP | data/3M/3MN5-ATP/3MN5-ATP_ligand.pdbqt | data/3M/3MN5-ATP/3MN5-ATP_target.pdbqt | data/3M/3MN5-ATP/3MN5-ATP_decoys.pdbqt | data/3M/3MN5-ATP/3MN5-ATP_decoy_scores.csv |
3MXR-MA4 | data/3M/3MXR-MA4/3MXR-MA4_ligand.pdbqt | data/3M/3MXR-MA4/3MXR-MA4_target.pdbqt | null | null |
3MMO-PG6 | data/3M/3MMO-PG6/3MMO-PG6_ligand.pdbqt | data/3M/3MMO-PG6/3MMO-PG6_target.pdbqt | data/3M/3MMO-PG6/3MMO-PG6_decoys.pdbqt | data/3M/3MMO-PG6/3MMO-PG6_decoy_scores.csv |
3MXS-MA4 | data/3M/3MXS-MA4/3MXS-MA4_ligand.pdbqt | data/3M/3MXS-MA4/3MXS-MA4_target.pdbqt | null | null |
3MJH-GTP | data/3M/3MJH-GTP/3MJH-GTP_ligand.pdbqt | data/3M/3MJH-GTP/3MJH-GTP_target.pdbqt | data/3M/3MJH-GTP/3MJH-GTP_decoys.pdbqt | data/3M/3MJH-GTP/3MJH-GTP_decoy_scores.csv |
3M0X-PSJ | data/3M/3M0X-PSJ/3M0X-PSJ_ligand.pdbqt | data/3M/3M0X-PSJ/3M0X-PSJ_target.pdbqt | data/3M/3M0X-PSJ/3M0X-PSJ_decoys.pdbqt | data/3M/3M0X-PSJ/3M0X-PSJ_decoy_scores.csv |
3MHM-J75 | data/3M/3MHM-J75/3MHM-J75_ligand.pdbqt | data/3M/3MHM-J75/3MHM-J75_target.pdbqt | data/3M/3MHM-J75/3MHM-J75_decoys.pdbqt | data/3M/3MHM-J75/3MHM-J75_decoy_scores.csv |
3MSL-EV5 | data/3M/3MSL-EV5/3MSL-EV5_ligand.pdbqt | data/3M/3MSL-EV5/3MSL-EV5_target.pdbqt | data/3M/3MSL-EV5/3MSL-EV5_decoys.pdbqt | data/3M/3MSL-EV5/3MSL-EV5_decoy_scores.csv |
3MKE-MA4 | data/3M/3MKE-MA4/3MKE-MA4_ligand.pdbqt | data/3M/3MKE-MA4/3MKE-MA4_target.pdbqt | null | null |
3MQW-FLC | data/3M/3MQW-FLC/3MQW-FLC_ligand.pdbqt | data/3M/3MQW-FLC/3MQW-FLC_target.pdbqt | data/3M/3MQW-FLC/3MQW-FLC_decoys.pdbqt | data/3M/3MQW-FLC/3MQW-FLC_decoy_scores.csv |
3MMP-PXN | data/3M/3MMP-PXN/3MMP-PXN_ligand.pdbqt | data/3M/3MMP-PXN/3MMP-PXN_target.pdbqt | data/3M/3MMP-PXN/3MMP-PXN_decoys.pdbqt | data/3M/3MMP-PXN/3MMP-PXN_decoy_scores.csv |
3MR0-PG5 | data/3M/3MR0-PG5/3MR0-PG5_ligand.pdbqt | data/3M/3MR0-PG5/3MR0-PG5_target.pdbqt | data/3M/3MR0-PG5/3MR0-PG5_decoys.pdbqt | data/3M/3MR0-PG5/3MR0-PG5_decoy_scores.csv |
3MQH-MJZ | data/3M/3MQH-MJZ/3MQH-MJZ_ligand.pdbqt | data/3M/3MQH-MJZ/3MQH-MJZ_target.pdbqt | data/3M/3MQH-MJZ/3MQH-MJZ_decoys.pdbqt | data/3M/3MQH-MJZ/3MQH-MJZ_decoy_scores.csv |
3MGB-PAP | data/3M/3MGB-PAP/3MGB-PAP_ligand.pdbqt | data/3M/3MGB-PAP/3MGB-PAP_target.pdbqt | data/3M/3MGB-PAP/3MGB-PAP_decoys.pdbqt | data/3M/3MGB-PAP/3MGB-PAP_decoy_scores.csv |
3M5E-JDR | data/3M/3M5E-JDR/3M5E-JDR_ligand.pdbqt | data/3M/3M5E-JDR/3M5E-JDR_target.pdbqt | data/3M/3M5E-JDR/3M5E-JDR_decoys.pdbqt | data/3M/3M5E-JDR/3M5E-JDR_decoy_scores.csv |
3MBI-HSX | data/3M/3MBI-HSX/3MBI-HSX_ligand.pdbqt | data/3M/3MBI-HSX/3MBI-HSX_target.pdbqt | data/3M/3MBI-HSX/3MBI-HSX_decoys.pdbqt | data/3M/3MBI-HSX/3MBI-HSX_decoy_scores.csv |
3MO4-TYR | data/3M/3MO4-TYR/3MO4-TYR_ligand.pdbqt | data/3M/3MO4-TYR/3MO4-TYR_target.pdbqt | data/3M/3MO4-TYR/3MO4-TYR_decoys.pdbqt | data/3M/3MO4-TYR/3MO4-TYR_decoy_scores.csv |
3MJ2-MJG | data/3M/3MJ2-MJG/3MJ2-MJG_ligand.pdbqt | data/3M/3MJ2-MJG/3MJ2-MJG_target.pdbqt | data/3M/3MJ2-MJG/3MJ2-MJG_decoys.pdbqt | data/3M/3MJ2-MJG/3MJ2-MJG_decoy_scores.csv |
3MFL-DHY | data/3M/3MFL-DHY/3MFL-DHY_ligand.pdbqt | data/3M/3MFL-DHY/3MFL-DHY_target.pdbqt | data/3M/3MFL-DHY/3MFL-DHY_decoys.pdbqt | data/3M/3MFL-DHY/3MFL-DHY_decoy_scores.csv |
3MF1-G5A | data/3M/3MF1-G5A/3MF1-G5A_ligand.pdbqt | data/3M/3MF1-G5A/3MF1-G5A_target.pdbqt | data/3M/3MF1-G5A/3MF1-G5A_decoys.pdbqt | data/3M/3MF1-G5A/3MF1-G5A_decoy_scores.csv |
3MRT-12E | data/3M/3MRT-12E/3MRT-12E_ligand.pdbqt | data/3M/3MRT-12E/3MRT-12E_target.pdbqt | data/3M/3MRT-12E/3MRT-12E_decoys.pdbqt | data/3M/3MRT-12E/3MRT-12E_decoy_scores.csv |
3M3K-GLU | data/3M/3M3K-GLU/3M3K-GLU_ligand.pdbqt | data/3M/3M3K-GLU/3M3K-GLU_target.pdbqt | data/3M/3M3K-GLU/3M3K-GLU_decoys.pdbqt | data/3M/3M3K-GLU/3M3K-GLU_decoy_scores.csv |
3MN9-ATP | data/3M/3MN9-ATP/3MN9-ATP_ligand.pdbqt | data/3M/3MN9-ATP/3MN9-ATP_target.pdbqt | data/3M/3MN9-ATP/3MN9-ATP_decoys.pdbqt | data/3M/3MN9-ATP/3MN9-ATP_decoy_scores.csv |
3MTE-SAM | data/3M/3MTE-SAM/3MTE-SAM_ligand.pdbqt | data/3M/3MTE-SAM/3MTE-SAM_target.pdbqt | data/3M/3MTE-SAM/3MTE-SAM_decoys.pdbqt | data/3M/3MTE-SAM/3MTE-SAM_decoy_scores.csv |
3MXE-K54 | data/3M/3MXE-K54/3MXE-K54_ligand.pdbqt | data/3M/3MXE-K54/3MXE-K54_target.pdbqt | data/3M/3MXE-K54/3MXE-K54_decoys.pdbqt | data/3M/3MXE-K54/3MXE-K54_decoy_scores.csv |
3MKF-MA4 | data/3M/3MKF-MA4/3MKF-MA4_ligand.pdbqt | data/3M/3MKF-MA4/3MKF-MA4_target.pdbqt | null | null |
3M3F-P99 | data/3M/3M3F-P99/3M3F-P99_ligand.pdbqt | data/3M/3M3F-P99/3M3F-P99_target.pdbqt | data/3M/3M3F-P99/3M3F-P99_decoys.pdbqt | data/3M/3M3F-P99/3M3F-P99_decoy_scores.csv |
3MJ1-614 | data/3M/3MJ1-614/3MJ1-614_ligand.pdbqt | data/3M/3MJ1-614/3MJ1-614_target.pdbqt | data/3M/3MJ1-614/3MJ1-614_decoys.pdbqt | data/3M/3MJ1-614/3MJ1-614_decoy_scores.csv |
3MFU-ANP | data/3M/3MFU-ANP/3MFU-ANP_ligand.pdbqt | data/3M/3MFU-ANP/3MFU-ANP_target.pdbqt | data/3M/3MFU-ANP/3MFU-ANP_decoys.pdbqt | data/3M/3MFU-ANP/3MFU-ANP_decoy_scores.csv |
3MRX-17S | data/3M/3MRX-17S/3MRX-17S_ligand.pdbqt | data/3M/3MRX-17S/3MRX-17S_target.pdbqt | data/3M/3MRX-17S/3MRX-17S_decoys.pdbqt | data/3M/3MRX-17S/3MRX-17S_decoy_scores.csv |
3MXP-THP | data/3M/3MXP-THP/3MXP-THP_ligand.pdbqt | data/3M/3MXP-THP/3MXP-THP_target.pdbqt | data/3M/3MXP-THP/3MXP-THP_decoys.pdbqt | data/3M/3MXP-THP/3MXP-THP_decoy_scores.csv |
3MZE-1QL | data/3M/3MZE-1QL/3MZE-1QL_ligand.pdbqt | data/3M/3MZE-1QL/3MZE-1QL_target.pdbqt | data/3M/3MZE-1QL/3MZE-1QL_decoys.pdbqt | data/3M/3MZE-1QL/3MZE-1QL_decoy_scores.csv |
3MFJ-BEN | data/3M/3MFJ-BEN/3MFJ-BEN_ligand.pdbqt | data/3M/3MFJ-BEN/3MFJ-BEN_target.pdbqt | data/3M/3MFJ-BEN/3MFJ-BEN_decoys.pdbqt | data/3M/3MFJ-BEN/3MFJ-BEN_decoy_scores.csv |
3MVZ-BHN | data/3M/3MVZ-BHN/3MVZ-BHN_ligand.pdbqt | data/3M/3MVZ-BHN/3MVZ-BHN_target.pdbqt | data/3M/3MVZ-BHN/3MVZ-BHN_decoys.pdbqt | data/3M/3MVZ-BHN/3MVZ-BHN_decoy_scores.csv |
3M5C-PA9 | data/3M/3M5C-PA9/3M5C-PA9_ligand.pdbqt | data/3M/3M5C-PA9/3M5C-PA9_target.pdbqt | data/3M/3M5C-PA9/3M5C-PA9_decoys.pdbqt | data/3M/3M5C-PA9/3M5C-PA9_decoy_scores.csv |
3M5D-PA9 | data/3M/3M5D-PA9/3M5D-PA9_ligand.pdbqt | data/3M/3M5D-PA9/3M5D-PA9_target.pdbqt | data/3M/3M5D-PA9/3M5D-PA9_decoys.pdbqt | data/3M/3M5D-PA9/3M5D-PA9_decoy_scores.csv |
3MDR-GJZ | data/3M/3MDR-GJZ/3MDR-GJZ_ligand.pdbqt | data/3M/3MDR-GJZ/3MDR-GJZ_target.pdbqt | data/3M/3MDR-GJZ/3MDR-GJZ_decoys.pdbqt | data/3M/3MDR-GJZ/3MDR-GJZ_decoy_scores.csv |
3MLB-LJZ | data/3M/3MLB-LJZ/3MLB-LJZ_ligand.pdbqt | data/3M/3MLB-LJZ/3MLB-LJZ_target.pdbqt | data/3M/3MLB-LJZ/3MLB-LJZ_decoys.pdbqt | data/3M/3MLB-LJZ/3MLB-LJZ_decoy_scores.csv |
3MO5-SAH | data/3M/3MO5-SAH/3MO5-SAH_ligand.pdbqt | data/3M/3MO5-SAH/3MO5-SAH_target.pdbqt | data/3M/3MO5-SAH/3MO5-SAH_decoys.pdbqt | data/3M/3MO5-SAH/3MO5-SAH_decoy_scores.csv |
3MVJ-XFE | data/3M/3MVJ-XFE/3MVJ-XFE_ligand.pdbqt | data/3M/3MVJ-XFE/3MVJ-XFE_target.pdbqt | data/3M/3MVJ-XFE/3MVJ-XFE_decoys.pdbqt | data/3M/3MVJ-XFE/3MVJ-XFE_decoy_scores.csv |
3MNO-DEX | data/3M/3MNO-DEX/3MNO-DEX_ligand.pdbqt | data/3M/3MNO-DEX/3MNO-DEX_target.pdbqt | data/3M/3MNO-DEX/3MNO-DEX_decoys.pdbqt | data/3M/3MNO-DEX/3MNO-DEX_decoy_scores.csv |
3MAG-SAH | data/3M/3MAG-SAH/3MAG-SAH_ligand.pdbqt | data/3M/3MAG-SAH/3MAG-SAH_target.pdbqt | data/3M/3MAG-SAH/3MAG-SAH_decoys.pdbqt | data/3M/3MAG-SAH/3MAG-SAH_decoy_scores.csv |
3MDO-P6G | data/3M/3MDO-P6G/3MDO-P6G_ligand.pdbqt | data/3M/3MDO-P6G/3MDO-P6G_target.pdbqt | data/3M/3MDO-P6G/3MDO-P6G_decoys.pdbqt | data/3M/3MDO-P6G/3MDO-P6G_decoy_scores.csv |
3M58-SAH | data/3M/3M58-SAH/3M58-SAH_ligand.pdbqt | data/3M/3M58-SAH/3M58-SAH_target.pdbqt | data/3M/3M58-SAH/3M58-SAH_decoys.pdbqt | data/3M/3M58-SAH/3M58-SAH_decoy_scores.csv |
3MYG-EML | data/3M/3MYG-EML/3MYG-EML_ligand.pdbqt | data/3M/3MYG-EML/3MYG-EML_target.pdbqt | data/3M/3MYG-EML/3MYG-EML_decoys.pdbqt | data/3M/3MYG-EML/3MYG-EML_decoy_scores.csv |
3MS9-MS9 | data/3M/3MS9-MS9/3MS9-MS9_ligand.pdbqt | data/3M/3MS9-MS9/3MS9-MS9_target.pdbqt | data/3M/3MS9-MS9/3MS9-MS9_decoys.pdbqt | data/3M/3MS9-MS9/3MS9-MS9_decoy_scores.csv |
3M2X-BEX | data/3M/3M2X-BEX/3M2X-BEX_ligand.pdbqt | data/3M/3M2X-BEX/3M2X-BEX_target.pdbqt | data/3M/3M2X-BEX/3M2X-BEX_decoys.pdbqt | data/3M/3M2X-BEX/3M2X-BEX_decoy_scores.csv |
3MUF-ADP | data/3M/3MUF-ADP/3MUF-ADP_ligand.pdbqt | data/3M/3MUF-ADP/3MUF-ADP_target.pdbqt | data/3M/3MUF-ADP/3MUF-ADP_decoys.pdbqt | data/3M/3MUF-ADP/3MUF-ADP_decoy_scores.csv |
3M2J-F5M | data/3M/3M2J-F5M/3M2J-F5M_ligand.pdbqt | data/3M/3M2J-F5M/3M2J-F5M_target.pdbqt | data/3M/3M2J-F5M/3M2J-F5M_decoys.pdbqt | data/3M/3M2J-F5M/3M2J-F5M_decoy_scores.csv |
3MPQ-MTN | data/3M/3MPQ-MTN/3MPQ-MTN_ligand.pdbqt | data/3M/3MPQ-MTN/3MPQ-MTN_target.pdbqt | data/3M/3MPQ-MTN/3MPQ-MTN_decoys.pdbqt | data/3M/3MPQ-MTN/3MPQ-MTN_decoy_scores.csv |
3MO7-UFT | data/3M/3MO7-UFT/3MO7-UFT_ligand.pdbqt | data/3M/3MO7-UFT/3MO7-UFT_target.pdbqt | data/3M/3MO7-UFT/3MO7-UFT_decoys.pdbqt | data/3M/3MO7-UFT/3MO7-UFT_decoy_scores.csv |
3MWS-017 | data/3M/3MWS-017/3MWS-017_ligand.pdbqt | data/3M/3MWS-017/3MWS-017_target.pdbqt | data/3M/3MWS-017/3MWS-017_decoys.pdbqt | data/3M/3MWS-017/3MWS-017_decoy_scores.csv |
3M2N-J74 | data/3M/3M2N-J74/3M2N-J74_ligand.pdbqt | data/3M/3M2N-J74/3M2N-J74_target.pdbqt | data/3M/3M2N-J74/3M2N-J74_decoys.pdbqt | data/3M/3M2N-J74/3M2N-J74_decoy_scores.csv |
3MMH-SME | data/3M/3MMH-SME/3MMH-SME_ligand.pdbqt | data/3M/3MMH-SME/3MMH-SME_target.pdbqt | data/3M/3MMH-SME/3MMH-SME_decoys.pdbqt | data/3M/3MMH-SME/3MMH-SME_decoy_scores.csv |
3M96-E38 | data/3M/3M96-E38/3M96-E38_ligand.pdbqt | data/3M/3M96-E38/3M96-E38_target.pdbqt | data/3M/3M96-E38/3M96-E38_decoys.pdbqt | data/3M/3M96-E38/3M96-E38_decoy_scores.csv |
3MYU-VIB | data/3M/3MYU-VIB/3MYU-VIB_ligand.pdbqt | data/3M/3MYU-VIB/3MYU-VIB_target.pdbqt | data/3M/3MYU-VIB/3MYU-VIB_decoys.pdbqt | data/3M/3MYU-VIB/3MYU-VIB_decoy_scores.csv |
3M0V-RNS | data/3M/3M0V-RNS/3M0V-RNS_ligand.pdbqt | data/3M/3M0V-RNS/3M0V-RNS_target.pdbqt | data/3M/3M0V-RNS/3M0V-RNS_decoys.pdbqt | data/3M/3M0V-RNS/3M0V-RNS_decoy_scores.csv |
3M6V-SAM | data/3M/3M6V-SAM/3M6V-SAM_ligand.pdbqt | data/3M/3M6V-SAM/3M6V-SAM_target.pdbqt | data/3M/3M6V-SAM/3M6V-SAM_decoys.pdbqt | data/3M/3M6V-SAM/3M6V-SAM_decoy_scores.csv |
3MCO-APC | data/3M/3MCO-APC/3MCO-APC_ligand.pdbqt | data/3M/3MCO-APC/3MCO-APC_target.pdbqt | data/3M/3MCO-APC/3MCO-APC_decoys.pdbqt | data/3M/3MCO-APC/3MCO-APC_decoy_scores.csv |
3MC5-393 | data/3M/3MC5-393/3MC5-393_ligand.pdbqt | data/3M/3MC5-393/3MC5-393_target.pdbqt | data/3M/3MC5-393/3MC5-393_decoys.pdbqt | data/3M/3MC5-393/3MC5-393_decoy_scores.csv |
3MEC-65B | data/3M/3MEC-65B/3MEC-65B_ligand.pdbqt | data/3M/3MEC-65B/3MEC-65B_target.pdbqt | data/3M/3MEC-65B/3MEC-65B_decoys.pdbqt | data/3M/3MEC-65B/3MEC-65B_decoy_scores.csv |
3MZF-IM2 | data/3M/3MZF-IM2/3MZF-IM2_ligand.pdbqt | data/3M/3MZF-IM2/3MZF-IM2_target.pdbqt | data/3M/3MZF-IM2/3MZF-IM2_decoys.pdbqt | data/3M/3MZF-IM2/3MZF-IM2_decoy_scores.csv |
3MEE-T27 | data/3M/3MEE-T27/3MEE-T27_ligand.pdbqt | data/3M/3MEE-T27/3MEE-T27_target.pdbqt | data/3M/3MEE-T27/3MEE-T27_decoys.pdbqt | data/3M/3MEE-T27/3MEE-T27_decoy_scores.csv |
3MI0-SA6 | data/3M/3MI0-SA6/3MI0-SA6_ligand.pdbqt | data/3M/3MI0-SA6/3MI0-SA6_target.pdbqt | data/3M/3MI0-SA6/3MI0-SA6_decoys.pdbqt | data/3M/3MI0-SA6/3MI0-SA6_decoy_scores.csv |
3M7P-12P | data/3M/3M7P-12P/3M7P-12P_ligand.pdbqt | data/3M/3M7P-12P/3M7P-12P_target.pdbqt | data/3M/3M7P-12P/3M7P-12P_decoys.pdbqt | data/3M/3M7P-12P/3M7P-12P_decoy_scores.csv |
3MD7-5GP | data/3M/3MD7-5GP/3MD7-5GP_ligand.pdbqt | data/3M/3MD7-5GP/3MD7-5GP_target.pdbqt | data/3M/3MD7-5GP/3MD7-5GP_decoys.pdbqt | data/3M/3MD7-5GP/3MD7-5GP_decoy_scores.csv |
3M6W-SAM | data/3M/3M6W-SAM/3M6W-SAM_ligand.pdbqt | data/3M/3M6W-SAM/3M6W-SAM_target.pdbqt | data/3M/3M6W-SAM/3M6W-SAM_decoys.pdbqt | data/3M/3M6W-SAM/3M6W-SAM_decoy_scores.csv |
3MLA-JJZ | data/3M/3MLA-JJZ/3MLA-JJZ_ligand.pdbqt | data/3M/3MLA-JJZ/3MLA-JJZ_target.pdbqt | data/3M/3MLA-JJZ/3MLA-JJZ_decoys.pdbqt | data/3M/3MLA-JJZ/3MLA-JJZ_decoy_scores.csv |
3MSJ-EV3 | data/3M/3MSJ-EV3/3MSJ-EV3_ligand.pdbqt | data/3M/3MSJ-EV3/3MSJ-EV3_target.pdbqt | data/3M/3MSJ-EV3/3MSJ-EV3_decoys.pdbqt | data/3M/3MSJ-EV3/3MSJ-EV3_decoy_scores.csv |
3MJM-DOR | data/3M/3MJM-DOR/3MJM-DOR_ligand.pdbqt | data/3M/3MJM-DOR/3MJM-DOR_target.pdbqt | data/3M/3MJM-DOR/3MJM-DOR_decoys.pdbqt | data/3M/3MJM-DOR/3MJM-DOR_decoy_scores.csv |
3MJR-UDP | data/3M/3MJR-UDP/3MJR-UDP_ligand.pdbqt | data/3M/3MJR-UDP/3MJR-UDP_target.pdbqt | data/3M/3MJR-UDP/3MJR-UDP_decoys.pdbqt | data/3M/3MJR-UDP/3MJR-UDP_decoy_scores.csv |
3M3L-P99 | data/3M/3M3L-P99/3M3L-P99_ligand.pdbqt | data/3M/3M3L-P99/3M3L-P99_target.pdbqt | data/3M/3M3L-P99/3M3L-P99_decoys.pdbqt | data/3M/3M3L-P99/3M3L-P99_decoy_scores.csv |
3MSC-24S | data/3M/3MSC-24S/3MSC-24S_ligand.pdbqt | data/3M/3MSC-24S/3MSC-24S_target.pdbqt | data/3M/3MSC-24S/3MSC-24S_decoys.pdbqt | data/3M/3MSC-24S/3MSC-24S_decoy_scores.csv |
3MDY-LDN | data/3M/3MDY-LDN/3MDY-LDN_ligand.pdbqt | data/3M/3MDY-LDN/3MDY-LDN_target.pdbqt | data/3M/3MDY-LDN/3MDY-LDN_decoys.pdbqt | data/3M/3MDY-LDN/3MDY-LDN_decoy_scores.csv |
3M8D-MTN | data/3M/3M8D-MTN/3M8D-MTN_ligand.pdbqt | data/3M/3M8D-MTN/3M8D-MTN_target.pdbqt | data/3M/3M8D-MTN/3M8D-MTN_decoys.pdbqt | data/3M/3M8D-MTN/3M8D-MTN_decoy_scores.csv |
3MG1-ECH | data/3M/3MG1-ECH/3MG1-ECH_ligand.pdbqt | data/3M/3MG1-ECH/3MG1-ECH_target.pdbqt | data/3M/3MG1-ECH/3MG1-ECH_decoys.pdbqt | data/3M/3MG1-ECH/3MG1-ECH_decoy_scores.csv |
3MEQ-NAI | data/3M/3MEQ-NAI/3MEQ-NAI_ligand.pdbqt | data/3M/3MEQ-NAI/3MEQ-NAI_target.pdbqt | data/3M/3MEQ-NAI/3MEQ-NAI_decoys.pdbqt | data/3M/3MEQ-NAI/3MEQ-NAI_decoy_scores.csv |
3M9X-XYP | data/3M/3M9X-XYP/3M9X-XYP_ligand.pdbqt | data/3M/3M9X-XYP/3M9X-XYP_target.pdbqt | data/3M/3M9X-XYP/3M9X-XYP_decoys.pdbqt | data/3M/3M9X-XYP/3M9X-XYP_decoy_scores.csv |
3MYK-BIT | data/3M/3MYK-BIT/3MYK-BIT_ligand.pdbqt | data/3M/3MYK-BIT/3MYK-BIT_target.pdbqt | data/3M/3MYK-BIT/3MYK-BIT_decoys.pdbqt | data/3M/3MYK-BIT/3MYK-BIT_decoy_scores.csv |
3MZC-S6I | data/3M/3MZC-S6I/3MZC-S6I_ligand.pdbqt | data/3M/3MZC-S6I/3MZC-S6I_target.pdbqt | data/3M/3MZC-S6I/3MZC-S6I_decoys.pdbqt | data/3M/3MZC-S6I/3MZC-S6I_decoy_scores.csv |
3M1X-FLC | data/3M/3M1X-FLC/3M1X-FLC_ligand.pdbqt | data/3M/3M1X-FLC/3M1X-FLC_target.pdbqt | data/3M/3M1X-FLC/3M1X-FLC_decoys.pdbqt | data/3M/3M1X-FLC/3M1X-FLC_decoy_scores.csv |
3MFV-Z70 | data/3M/3MFV-Z70/3MFV-Z70_ligand.pdbqt | data/3M/3MFV-Z70/3MFV-Z70_target.pdbqt | data/3M/3MFV-Z70/3MFV-Z70_decoys.pdbqt | data/3M/3MFV-Z70/3MFV-Z70_decoy_scores.csv |
3M30-TP7 | data/3M/3M30-TP7/3M30-TP7_ligand.pdbqt | data/3M/3M30-TP7/3M30-TP7_target.pdbqt | data/3M/3M30-TP7/3M30-TP7_decoys.pdbqt | data/3M/3M30-TP7/3M30-TP7_decoy_scores.csv |
3MYH-BIT | data/3M/3MYH-BIT/3MYH-BIT_ligand.pdbqt | data/3M/3MYH-BIT/3MYH-BIT_target.pdbqt | null | null |
3MMS-Q88 | data/3M/3MMS-Q88/3MMS-Q88_ligand.pdbqt | data/3M/3MMS-Q88/3MMS-Q88_target.pdbqt | data/3M/3MMS-Q88/3MMS-Q88_decoys.pdbqt | data/3M/3MMS-Q88/3MMS-Q88_decoy_scores.csv |
3MI2-PFU | data/3M/3MI2-PFU/3MI2-PFU_ligand.pdbqt | data/3M/3MI2-PFU/3MI2-PFU_target.pdbqt | data/3M/3MI2-PFU/3MI2-PFU_decoys.pdbqt | data/3M/3MI2-PFU/3MI2-PFU_decoy_scores.csv |
3MHJ-M3F | data/3M/3MHJ-M3F/3MHJ-M3F_ligand.pdbqt | data/3M/3MHJ-M3F/3MHJ-M3F_target.pdbqt | data/3M/3MHJ-M3F/3MHJ-M3F_decoys.pdbqt | data/3M/3MHJ-M3F/3MHJ-M3F_decoy_scores.csv |
3M2R-TP7 | data/3M/3M2R-TP7/3M2R-TP7_ligand.pdbqt | data/3M/3M2R-TP7/3M2R-TP7_target.pdbqt | data/3M/3M2R-TP7/3M2R-TP7_decoys.pdbqt | data/3M/3M2R-TP7/3M2R-TP7_decoy_scores.csv |
3MNR-SD1 | data/3M/3MNR-SD1/3MNR-SD1_ligand.pdbqt | data/3M/3MNR-SD1/3MNR-SD1_target.pdbqt | data/3M/3MNR-SD1/3MNR-SD1_decoys.pdbqt | data/3M/3MNR-SD1/3MNR-SD1_decoy_scores.csv |
3MES-DME | data/3M/3MES-DME/3MES-DME_ligand.pdbqt | data/3M/3MES-DME/3MES-DME_target.pdbqt | data/3M/3MES-DME/3MES-DME_decoys.pdbqt | data/3M/3MES-DME/3MES-DME_decoy_scores.csv |
3MI4-BEN | data/3M/3MI4-BEN/3MI4-BEN_ligand.pdbqt | data/3M/3MI4-BEN/3MI4-BEN_target.pdbqt | data/3M/3MI4-BEN/3MI4-BEN_decoys.pdbqt | data/3M/3MI4-BEN/3MI4-BEN_decoy_scores.csv |
3M7J-MMA | data/3M/3M7J-MMA/3M7J-MMA_ligand.pdbqt | data/3M/3M7J-MMA/3M7J-MMA_target.pdbqt | data/3M/3M7J-MMA/3M7J-MMA_decoys.pdbqt | data/3M/3M7J-MMA/3M7J-MMA_decoy_scores.csv |
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