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 ⌀ |
|---|---|---|---|---|
6WL6-91A | data/6W/6WL6-91A/6WL6-91A_ligand.pdbqt | data/6W/6WL6-91A/6WL6-91A_target.pdbqt | data/6W/6WL6-91A/6WL6-91A_decoys.pdbqt | data/6W/6WL6-91A/6WL6-91A_decoy_scores.csv |
6W9L-TUS | data/6W/6W9L-TUS/6W9L-TUS_ligand.pdbqt | data/6W/6W9L-TUS/6W9L-TUS_target.pdbqt | data/6W/6W9L-TUS/6W9L-TUS_decoys.pdbqt | data/6W/6W9L-TUS/6W9L-TUS_decoy_scores.csv |
6WAO-TQG | data/6W/6WAO-TQG/6WAO-TQG_ligand.pdbqt | data/6W/6WAO-TQG/6WAO-TQG_target.pdbqt | data/6W/6WAO-TQG/6WAO-TQG_decoys.pdbqt | data/6W/6WAO-TQG/6WAO-TQG_decoy_scores.csv |
6W07-S9A | data/6W/6W07-S9A/6W07-S9A_ligand.pdbqt | data/6W/6W07-S9A/6W07-S9A_target.pdbqt | data/6W/6W07-S9A/6W07-S9A_decoys.pdbqt | data/6W/6W07-S9A/6W07-S9A_decoy_scores.csv |
6WK2-SAM | data/6W/6WK2-SAM/6WK2-SAM_ligand.pdbqt | data/6W/6WK2-SAM/6WK2-SAM_target.pdbqt | data/6W/6WK2-SAM/6WK2-SAM_decoys.pdbqt | data/6W/6WK2-SAM/6WK2-SAM_decoy_scores.csv |
6W59-SZD | data/6W/6W59-SZD/6W59-SZD_ligand.pdbqt | data/6W/6W59-SZD/6W59-SZD_target.pdbqt | data/6W/6W59-SZD/6W59-SZD_decoys.pdbqt | data/6W/6W59-SZD/6W59-SZD_decoy_scores.csv |
6WOK-G9J | data/6W/6WOK-G9J/6WOK-G9J_ligand.pdbqt | data/6W/6WOK-G9J/6WOK-G9J_target.pdbqt | data/6W/6WOK-G9J/6WOK-G9J_decoys.pdbqt | data/6W/6WOK-G9J/6WOK-G9J_decoy_scores.csv |
6WP8-RET | data/6W/6WP8-RET/6WP8-RET_ligand.pdbqt | data/6W/6WP8-RET/6WP8-RET_target.pdbqt | data/6W/6WP8-RET/6WP8-RET_decoys.pdbqt | data/6W/6WP8-RET/6WP8-RET_decoy_scores.csv |
6WIH-8Q1 | data/6W/6WIH-8Q1/6WIH-8Q1_ligand.pdbqt | data/6W/6WIH-8Q1/6WIH-8Q1_target.pdbqt | data/6W/6WIH-8Q1/6WIH-8Q1_decoys.pdbqt | data/6W/6WIH-8Q1/6WIH-8Q1_decoy_scores.csv |
6W06-S5M | data/6W/6W06-S5M/6W06-S5M_ligand.pdbqt | data/6W/6W06-S5M/6W06-S5M_target.pdbqt | data/6W/6W06-S5M/6W06-S5M_decoys.pdbqt | data/6W/6W06-S5M/6W06-S5M_decoy_scores.csv |
6WPG-SAL | data/6W/6WPG-SAL/6WPG-SAL_ligand.pdbqt | data/6W/6WPG-SAL/6WPG-SAL_target.pdbqt | data/6W/6WPG-SAL/6WPG-SAL_decoys.pdbqt | data/6W/6WPG-SAL/6WPG-SAL_decoy_scores.csv |
6WH5-3PO | data/6W/6WH5-3PO/6WH5-3PO_ligand.pdbqt | data/6W/6WH5-3PO/6WH5-3PO_target.pdbqt | data/6W/6WH5-3PO/6WH5-3PO_decoys.pdbqt | data/6W/6WH5-3PO/6WH5-3PO_decoy_scores.csv |
6W1K-OOG | data/6W/6W1K-OOG/6W1K-OOG_ligand.pdbqt | data/6W/6W1K-OOG/6W1K-OOG_target.pdbqt | data/6W/6W1K-OOG/6W1K-OOG_decoys.pdbqt | data/6W/6W1K-OOG/6W1K-OOG_decoy_scores.csv |
6WJA-UD2 | data/6W/6WJA-UD2/6WJA-UD2_ligand.pdbqt | data/6W/6WJA-UD2/6WJA-UD2_target.pdbqt | data/6W/6WJA-UD2/6WJA-UD2_decoys.pdbqt | data/6W/6WJA-UD2/6WJA-UD2_decoy_scores.csv |
6WM5-OLC | data/6W/6WM5-OLC/6WM5-OLC_ligand.pdbqt | data/6W/6WM5-OLC/6WM5-OLC_target.pdbqt | data/6W/6WM5-OLC/6WM5-OLC_decoys.pdbqt | data/6W/6WM5-OLC/6WM5-OLC_decoy_scores.csv |
6WHF-9EP | data/6W/6WHF-9EP/6WHF-9EP_ligand.pdbqt | data/6W/6WHF-9EP/6WHF-9EP_target.pdbqt | data/6W/6WHF-9EP/6WHF-9EP_decoys.pdbqt | data/6W/6WHF-9EP/6WHF-9EP_decoy_scores.csv |
6WW0-UDJ | data/6W/6WW0-UDJ/6WW0-UDJ_ligand.pdbqt | data/6W/6WW0-UDJ/6WW0-UDJ_target.pdbqt | data/6W/6WW0-UDJ/6WW0-UDJ_decoys.pdbqt | data/6W/6WW0-UDJ/6WW0-UDJ_decoy_scores.csv |
6W12-A2G | data/6W/6W12-A2G/6W12-A2G_ligand.pdbqt | data/6W/6W12-A2G/6W12-A2G_target.pdbqt | data/6W/6W12-A2G/6W12-A2G_decoys.pdbqt | data/6W/6W12-A2G/6W12-A2G_decoy_scores.csv |
6WQ3-8NK | data/6W/6WQ3-8NK/6WQ3-8NK_ligand.pdbqt | data/6W/6WQ3-8NK/6WQ3-8NK_target.pdbqt | data/6W/6WQ3-8NK/6WQ3-8NK_decoys.pdbqt | data/6W/6WQ3-8NK/6WQ3-8NK_decoy_scores.csv |
6WIJ-U3A | data/6W/6WIJ-U3A/6WIJ-U3A_ligand.pdbqt | data/6W/6WIJ-U3A/6WIJ-U3A_target.pdbqt | data/6W/6WIJ-U3A/6WIJ-U3A_decoys.pdbqt | data/6W/6WIJ-U3A/6WIJ-U3A_decoy_scores.csv |
6WV3-SWF | data/6W/6WV3-SWF/6WV3-SWF_ligand.pdbqt | data/6W/6WV3-SWF/6WV3-SWF_target.pdbqt | data/6W/6WV3-SWF/6WV3-SWF_decoys.pdbqt | data/6W/6WV3-SWF/6WV3-SWF_decoy_scores.csv |
6WVX-UDV | data/6W/6WVX-UDV/6WVX-UDV_ligand.pdbqt | data/6W/6WVX-UDV/6WVX-UDV_target.pdbqt | data/6W/6WVX-UDV/6WVX-UDV_decoys.pdbqt | data/6W/6WVX-UDV/6WVX-UDV_decoy_scores.csv |
6WVN-MGP | data/6W/6WVN-MGP/6WVN-MGP_ligand.pdbqt | data/6W/6WVN-MGP/6WVN-MGP_target.pdbqt | data/6W/6WVN-MGP/6WVN-MGP_decoys.pdbqt | data/6W/6WVN-MGP/6WVN-MGP_decoy_scores.csv |
6WW1-476 | data/6W/6WW1-476/6WW1-476_ligand.pdbqt | data/6W/6WW1-476/6WW1-476_target.pdbqt | data/6W/6WW1-476/6WW1-476_decoys.pdbqt | data/6W/6WW1-476/6WW1-476_decoy_scores.csv |
6W9K-TUA | data/6W/6W9K-TUA/6W9K-TUA_ligand.pdbqt | data/6W/6W9K-TUA/6W9K-TUA_target.pdbqt | data/6W/6W9K-TUA/6W9K-TUA_decoys.pdbqt | data/6W/6W9K-TUA/6W9K-TUA_decoy_scores.csv |
6WBD-LYS | data/6W/6WBD-LYS/6WBD-LYS_ligand.pdbqt | data/6W/6WBD-LYS/6WBD-LYS_target.pdbqt | data/6W/6WBD-LYS/6WBD-LYS_decoys.pdbqt | data/6W/6WBD-LYS/6WBD-LYS_decoy_scores.csv |
6W4H-SAM | data/6W/6W4H-SAM/6W4H-SAM_ligand.pdbqt | data/6W/6W4H-SAM/6W4H-SAM_target.pdbqt | data/6W/6W4H-SAM/6W4H-SAM_decoys.pdbqt | data/6W/6W4H-SAM/6W4H-SAM_decoy_scores.csv |
6W3V-PHE | data/6W/6W3V-PHE/6W3V-PHE_ligand.pdbqt | data/6W/6W3V-PHE/6W3V-PHE_target.pdbqt | data/6W/6W3V-PHE/6W3V-PHE_decoys.pdbqt | data/6W/6W3V-PHE/6W3V-PHE_decoy_scores.csv |
6W3O-SKG | data/6W/6W3O-SKG/6W3O-SKG_ligand.pdbqt | data/6W/6W3O-SKG/6W3O-SKG_target.pdbqt | data/6W/6W3O-SKG/6W3O-SKG_decoys.pdbqt | data/6W/6W3O-SKG/6W3O-SKG_decoy_scores.csv |
6WUW-OCA | data/6W/6WUW-OCA/6WUW-OCA_ligand.pdbqt | data/6W/6WUW-OCA/6WUW-OCA_target.pdbqt | data/6W/6WUW-OCA/6WUW-OCA_decoys.pdbqt | data/6W/6WUW-OCA/6WUW-OCA_decoy_scores.csv |
6WRN-NIY | data/6W/6WRN-NIY/6WRN-NIY_ligand.pdbqt | data/6W/6WRN-NIY/6WRN-NIY_target.pdbqt | data/6W/6WRN-NIY/6WRN-NIY_decoys.pdbqt | data/6W/6WRN-NIY/6WRN-NIY_decoy_scores.csv |
6WNK-U5Y | data/6W/6WNK-U5Y/6WNK-U5Y_ligand.pdbqt | data/6W/6WNK-U5Y/6WNK-U5Y_target.pdbqt | data/6W/6WNK-U5Y/6WNK-U5Y_decoys.pdbqt | data/6W/6WNK-U5Y/6WNK-U5Y_decoy_scores.csv |
6W7V-TFJ | data/6W/6W7V-TFJ/6W7V-TFJ_ligand.pdbqt | data/6W/6W7V-TFJ/6W7V-TFJ_target.pdbqt | data/6W/6W7V-TFJ/6W7V-TFJ_decoys.pdbqt | data/6W/6W7V-TFJ/6W7V-TFJ_decoy_scores.csv |
6W8K-TJ4 | data/6W/6W8K-TJ4/6W8K-TJ4_ligand.pdbqt | data/6W/6W8K-TJ4/6W8K-TJ4_target.pdbqt | data/6W/6W8K-TJ4/6W8K-TJ4_decoys.pdbqt | data/6W/6W8K-TJ4/6W8K-TJ4_decoy_scores.csv |
6WE6-CAM | data/6W/6WE6-CAM/6WE6-CAM_ligand.pdbqt | data/6W/6WE6-CAM/6WE6-CAM_target.pdbqt | data/6W/6WE6-CAM/6WE6-CAM_decoys.pdbqt | data/6W/6WE6-CAM/6WE6-CAM_decoy_scores.csv |
6WM5-TCE | data/6W/6WM5-TCE/6WM5-TCE_ligand.pdbqt | data/6W/6WM5-TCE/6WM5-TCE_target.pdbqt | data/6W/6WM5-TCE/6WM5-TCE_decoys.pdbqt | data/6W/6WM5-TCE/6WM5-TCE_decoy_scores.csv |
6WW8-YR0 | data/6W/6WW8-YR0/6WW8-YR0_ligand.pdbqt | data/6W/6WW8-YR0/6WW8-YR0_target.pdbqt | data/6W/6WW8-YR0/6WW8-YR0_decoys.pdbqt | data/6W/6WW8-YR0/6WW8-YR0_decoy_scores.csv |
6WFV-UDP | data/6W/6WFV-UDP/6WFV-UDP_ligand.pdbqt | data/6W/6WFV-UDP/6WFV-UDP_target.pdbqt | data/6W/6WFV-UDP/6WFV-UDP_decoys.pdbqt | data/6W/6WFV-UDP/6WFV-UDP_decoy_scores.csv |
6W42-SJY | data/6W/6W42-SJY/6W42-SJY_ligand.pdbqt | data/6W/6W42-SJY/6W42-SJY_target.pdbqt | data/6W/6W42-SJY/6W42-SJY_decoys.pdbqt | data/6W/6W42-SJY/6W42-SJY_decoy_scores.csv |
6WX3-BCN | data/6W/6WX3-BCN/6WX3-BCN_ligand.pdbqt | data/6W/6WX3-BCN/6WX3-BCN_target.pdbqt | null | null |
6W1D-8Q1 | data/6W/6W1D-8Q1/6W1D-8Q1_ligand.pdbqt | data/6W/6W1D-8Q1/6W1D-8Q1_target.pdbqt | data/6W/6W1D-8Q1/6W1D-8Q1_decoys.pdbqt | data/6W/6W1D-8Q1/6W1D-8Q1_decoy_scores.csv |
6WP9-XVR | data/6W/6WP9-XVR/6WP9-XVR_ligand.pdbqt | data/6W/6WP9-XVR/6WP9-XVR_target.pdbqt | data/6W/6WP9-XVR/6WP9-XVR_decoys.pdbqt | data/6W/6WP9-XVR/6WP9-XVR_decoy_scores.csv |
6WKU-P6G | data/6W/6WKU-P6G/6WKU-P6G_ligand.pdbqt | data/6W/6WKU-P6G/6WKU-P6G_target.pdbqt | data/6W/6WKU-P6G/6WKU-P6G_decoys.pdbqt | data/6W/6WKU-P6G/6WKU-P6G_decoy_scores.csv |
6W91-TJP | data/6W/6W91-TJP/6W91-TJP_ligand.pdbqt | data/6W/6W91-TJP/6W91-TJP_target.pdbqt | data/6W/6W91-TJP/6W91-TJP_decoys.pdbqt | data/6W/6W91-TJP/6W91-TJP_decoy_scores.csv |
6WT4-4BW | data/6W/6WT4-4BW/6WT4-4BW_ligand.pdbqt | data/6W/6WT4-4BW/6WT4-4BW_target.pdbqt | data/6W/6WT4-4BW/6WT4-4BW_decoys.pdbqt | data/6W/6WT4-4BW/6WT4-4BW_decoy_scores.csv |
6WTF-TRP | data/6W/6WTF-TRP/6WTF-TRP_ligand.pdbqt | data/6W/6WTF-TRP/6WTF-TRP_target.pdbqt | data/6W/6WTF-TRP/6WTF-TRP_decoys.pdbqt | data/6W/6WTF-TRP/6WTF-TRP_decoy_scores.csv |
6WMV-8K6 | data/6W/6WMV-8K6/6WMV-8K6_ligand.pdbqt | data/6W/6WMV-8K6/6WMV-8K6_target.pdbqt | data/6W/6WMV-8K6/6WMV-8K6_decoys.pdbqt | data/6W/6WMV-8K6/6WMV-8K6_decoy_scores.csv |
4EOD-BLA | data/4E/4EOD-BLA/4EOD-BLA_ligand.pdbqt | data/4E/4EOD-BLA/4EOD-BLA_target.pdbqt | data/4E/4EOD-BLA/4EOD-BLA_decoys.pdbqt | data/4E/4EOD-BLA/4EOD-BLA_decoy_scores.csv |
4EIP-K2C | data/4E/4EIP-K2C/4EIP-K2C_ligand.pdbqt | data/4E/4EIP-K2C/4EIP-K2C_target.pdbqt | data/4E/4EIP-K2C/4EIP-K2C_decoys.pdbqt | data/4E/4EIP-K2C/4EIP-K2C_decoy_scores.csv |
4E47-SAM | data/4E/4E47-SAM/4E47-SAM_ligand.pdbqt | data/4E/4E47-SAM/4E47-SAM_target.pdbqt | data/4E/4E47-SAM/4E47-SAM_decoys.pdbqt | data/4E/4E47-SAM/4E47-SAM_decoy_scores.csv |
4EIL-FOL | data/4E/4EIL-FOL/4EIL-FOL_ligand.pdbqt | data/4E/4EIL-FOL/4EIL-FOL_target.pdbqt | data/4E/4EIL-FOL/4EIL-FOL_decoys.pdbqt | data/4E/4EIL-FOL/4EIL-FOL_decoy_scores.csv |
4EQZ-AW0 | data/4E/4EQZ-AW0/4EQZ-AW0_ligand.pdbqt | data/4E/4EQZ-AW0/4EQZ-AW0_target.pdbqt | data/4E/4EQZ-AW0/4EQZ-AW0_decoys.pdbqt | data/4E/4EQZ-AW0/4EQZ-AW0_decoy_scores.csv |
4EIL-CB3 | data/4E/4EIL-CB3/4EIL-CB3_ligand.pdbqt | data/4E/4EIL-CB3/4EIL-CB3_target.pdbqt | data/4E/4EIL-CB3/4EIL-CB3_decoys.pdbqt | data/4E/4EIL-CB3/4EIL-CB3_decoy_scores.csv |
4EM9-TCE | data/4E/4EM9-TCE/4EM9-TCE_ligand.pdbqt | data/4E/4EM9-TCE/4EM9-TCE_target.pdbqt | data/4E/4EM9-TCE/4EM9-TCE_decoys.pdbqt | data/4E/4EM9-TCE/4EM9-TCE_decoy_scores.csv |
4EH6-0ON | data/4E/4EH6-0ON/4EH6-0ON_ligand.pdbqt | data/4E/4EH6-0ON/4EH6-0ON_target.pdbqt | data/4E/4EH6-0ON/4EH6-0ON_decoys.pdbqt | data/4E/4EH6-0ON/4EH6-0ON_decoy_scores.csv |
4ERK-OLO | data/4E/4ERK-OLO/4ERK-OLO_ligand.pdbqt | data/4E/4ERK-OLO/4ERK-OLO_target.pdbqt | data/4E/4ERK-OLO/4ERK-OLO_decoys.pdbqt | data/4E/4ERK-OLO/4ERK-OLO_decoy_scores.csv |
4EEH-HH6 | data/4E/4EEH-HH6/4EEH-HH6_ligand.pdbqt | data/4E/4EEH-HH6/4EEH-HH6_target.pdbqt | data/4E/4EEH-HH6/4EEH-HH6_decoys.pdbqt | data/4E/4EEH-HH6/4EEH-HH6_decoy_scores.csv |
4EJL-IOP | data/4E/4EJL-IOP/4EJL-IOP_ligand.pdbqt | data/4E/4EJL-IOP/4EJL-IOP_target.pdbqt | data/4E/4EJL-IOP/4EJL-IOP_decoys.pdbqt | data/4E/4EJL-IOP/4EJL-IOP_decoy_scores.csv |
4EBV-0O7 | data/4E/4EBV-0O7/4EBV-0O7_ligand.pdbqt | data/4E/4EBV-0O7/4EBV-0O7_target.pdbqt | data/4E/4EBV-0O7/4EBV-0O7_decoys.pdbqt | data/4E/4EBV-0O7/4EBV-0O7_decoy_scores.csv |
4EQK-MGT | data/4E/4EQK-MGT/4EQK-MGT_ligand.pdbqt | data/4E/4EQK-MGT/4EQK-MGT_target.pdbqt | data/4E/4EQK-MGT/4EQK-MGT_decoys.pdbqt | data/4E/4EQK-MGT/4EQK-MGT_decoy_scores.csv |
4EFE-NMN | data/4E/4EFE-NMN/4EFE-NMN_ligand.pdbqt | data/4E/4EFE-NMN/4EFE-NMN_target.pdbqt | data/4E/4EFE-NMN/4EFE-NMN_decoys.pdbqt | data/4E/4EFE-NMN/4EFE-NMN_decoy_scores.csv |
4EDE-RET | data/4E/4EDE-RET/4EDE-RET_ligand.pdbqt | data/4E/4EDE-RET/4EDE-RET_target.pdbqt | data/4E/4EDE-RET/4EDE-RET_decoys.pdbqt | data/4E/4EDE-RET/4EDE-RET_decoy_scores.csv |
4EH2-0OK | data/4E/4EH2-0OK/4EH2-0OK_ligand.pdbqt | data/4E/4EH2-0OK/4EH2-0OK_target.pdbqt | data/4E/4EH2-0OK/4EH2-0OK_decoys.pdbqt | data/4E/4EH2-0OK/4EH2-0OK_decoy_scores.csv |
4EAA-JB2 | data/4E/4EAA-JB2/4EAA-JB2_ligand.pdbqt | data/4E/4EAA-JB2/4EAA-JB2_target.pdbqt | data/4E/4EAA-JB2/4EAA-JB2_decoys.pdbqt | data/4E/4EAA-JB2/4EAA-JB2_decoy_scores.csv |
4E47-0N6 | data/4E/4E47-0N6/4E47-0N6_ligand.pdbqt | data/4E/4E47-0N6/4E47-0N6_target.pdbqt | data/4E/4E47-0N6/4E47-0N6_decoys.pdbqt | data/4E/4E47-0N6/4E47-0N6_decoy_scores.csv |
4EZD-SPL | data/4E/4EZD-SPL/4EZD-SPL_ligand.pdbqt | data/4E/4EZD-SPL/4EZD-SPL_target.pdbqt | data/4E/4EZD-SPL/4EZD-SPL_decoys.pdbqt | data/4E/4EZD-SPL/4EZD-SPL_decoy_scores.csv |
4EGN-TWO | data/4E/4EGN-TWO/4EGN-TWO_ligand.pdbqt | data/4E/4EGN-TWO/4EGN-TWO_target.pdbqt | data/4E/4EGN-TWO/4EGN-TWO_decoys.pdbqt | data/4E/4EGN-TWO/4EGN-TWO_decoy_scores.csv |
4EAK-ATP | data/4E/4EAK-ATP/4EAK-ATP_ligand.pdbqt | data/4E/4EAK-ATP/4EAK-ATP_target.pdbqt | data/4E/4EAK-ATP/4EAK-ATP_decoys.pdbqt | data/4E/4EAK-ATP/4EAK-ATP_decoy_scores.csv |
4EYW-L0R | data/4E/4EYW-L0R/4EYW-L0R_ligand.pdbqt | data/4E/4EYW-L0R/4EYW-L0R_target.pdbqt | data/4E/4EYW-L0R/4EYW-L0R_decoys.pdbqt | data/4E/4EYW-L0R/4EYW-L0R_decoy_scores.csv |
4EDG-BEN | data/4E/4EDG-BEN/4EDG-BEN_ligand.pdbqt | data/4E/4EDG-BEN/4EDG-BEN_target.pdbqt | data/4E/4EDG-BEN/4EDG-BEN_decoys.pdbqt | data/4E/4EDG-BEN/4EDG-BEN_decoy_scores.csv |
4EL0-D1K | data/4E/4EL0-D1K/4EL0-D1K_ligand.pdbqt | data/4E/4EL0-D1K/4EL0-D1K_target.pdbqt | data/4E/4EL0-D1K/4EL0-D1K_decoys.pdbqt | data/4E/4EL0-D1K/4EL0-D1K_decoy_scores.csv |
4E01-0F1 | data/4E/4E01-0F1/4E01-0F1_ligand.pdbqt | data/4E/4E01-0F1/4E01-0F1_target.pdbqt | data/4E/4E01-0F1/4E01-0F1_decoys.pdbqt | data/4E/4E01-0F1/4E01-0F1_decoy_scores.csv |
4EK9-EP4 | data/4E/4EK9-EP4/4EK9-EP4_ligand.pdbqt | data/4E/4EK9-EP4/4EK9-EP4_target.pdbqt | data/4E/4EK9-EP4/4EK9-EP4_decoys.pdbqt | data/4E/4EK9-EP4/4EK9-EP4_decoy_scores.csv |
4ETP-ADP | data/4E/4ETP-ADP/4ETP-ADP_ligand.pdbqt | data/4E/4ETP-ADP/4ETP-ADP_target.pdbqt | data/4E/4ETP-ADP/4ETP-ADP_decoys.pdbqt | data/4E/4ETP-ADP/4ETP-ADP_decoy_scores.csv |
4EBU-AMP | data/4E/4EBU-AMP/4EBU-AMP_ligand.pdbqt | data/4E/4EBU-AMP/4EBU-AMP_target.pdbqt | data/4E/4EBU-AMP/4EBU-AMP_decoys.pdbqt | data/4E/4EBU-AMP/4EBU-AMP_decoy_scores.csv |
4EY3-PHB | data/4E/4EY3-PHB/4EY3-PHB_ligand.pdbqt | data/4E/4EY3-PHB/4EY3-PHB_target.pdbqt | data/4E/4EY3-PHB/4EY3-PHB_decoys.pdbqt | data/4E/4EY3-PHB/4EY3-PHB_decoy_scores.csv |
4EEJ-RET | data/4E/4EEJ-RET/4EEJ-RET_ligand.pdbqt | data/4E/4EEJ-RET/4EEJ-RET_target.pdbqt | data/4E/4EEJ-RET/4EEJ-RET_decoys.pdbqt | data/4E/4EEJ-RET/4EEJ-RET_decoy_scores.csv |
4EZ7-2AN | data/4E/4EZ7-2AN/4EZ7-2AN_ligand.pdbqt | data/4E/4EZ7-2AN/4EZ7-2AN_target.pdbqt | data/4E/4EZ7-2AN/4EZ7-2AN_decoys.pdbqt | data/4E/4EZ7-2AN/4EZ7-2AN_decoy_scores.csv |
4E2X-SAH | data/4E/4E2X-SAH/4E2X-SAH_ligand.pdbqt | data/4E/4E2X-SAH/4E2X-SAH_target.pdbqt | data/4E/4E2X-SAH/4E2X-SAH_decoys.pdbqt | data/4E/4E2X-SAH/4E2X-SAH_decoy_scores.csv |
4E3G-PHB | data/4E/4E3G-PHB/4E3G-PHB_ligand.pdbqt | data/4E/4E3G-PHB/4E3G-PHB_target.pdbqt | data/4E/4E3G-PHB/4E3G-PHB_decoys.pdbqt | data/4E/4E3G-PHB/4E3G-PHB_decoy_scores.csv |
4EHU-ANP | data/4E/4EHU-ANP/4EHU-ANP_ligand.pdbqt | data/4E/4EHU-ANP/4EHU-ANP_target.pdbqt | data/4E/4EHU-ANP/4EHU-ANP_decoys.pdbqt | data/4E/4EHU-ANP/4EHU-ANP_decoy_scores.csv |
4EYL-0RV | data/4E/4EYL-0RV/4EYL-0RV_ligand.pdbqt | data/4E/4EYL-0RV/4EYL-0RV_target.pdbqt | data/4E/4EYL-0RV/4EYL-0RV_decoys.pdbqt | data/4E/4EYL-0RV/4EYL-0RV_decoy_scores.csv |
4E2J-MOF | data/4E/4E2J-MOF/4E2J-MOF_ligand.pdbqt | data/4E/4E2J-MOF/4E2J-MOF_target.pdbqt | data/4E/4E2J-MOF/4E2J-MOF_decoys.pdbqt | data/4E/4E2J-MOF/4E2J-MOF_decoy_scores.csv |
4EYS-AMP | data/4E/4EYS-AMP/4EYS-AMP_ligand.pdbqt | data/4E/4EYS-AMP/4EYS-AMP_target.pdbqt | data/4E/4EYS-AMP/4EYS-AMP_decoys.pdbqt | data/4E/4EYS-AMP/4EYS-AMP_decoy_scores.csv |
4EZD-BGC | data/4E/4EZD-BGC/4EZD-BGC_ligand.pdbqt | data/4E/4EZD-BGC/4EZD-BGC_target.pdbqt | data/4E/4EZD-BGC/4EZD-BGC_decoys.pdbqt | data/4E/4EZD-BGC/4EZD-BGC_decoy_scores.csv |
4E1K-0N5 | data/4E/4E1K-0N5/4E1K-0N5_ligand.pdbqt | data/4E/4E1K-0N5/4E1K-0N5_target.pdbqt | data/4E/4E1K-0N5/4E1K-0N5_decoys.pdbqt | data/4E/4E1K-0N5/4E1K-0N5_decoy_scores.csv |
4E3X-16P | data/4E/4E3X-16P/4E3X-16P_ligand.pdbqt | data/4E/4E3X-16P/4E3X-16P_target.pdbqt | data/4E/4E3X-16P/4E3X-16P_decoys.pdbqt | data/4E/4E3X-16P/4E3X-16P_decoy_scores.csv |
4EHZ-JAK | data/4E/4EHZ-JAK/4EHZ-JAK_ligand.pdbqt | data/4E/4EHZ-JAK/4EHZ-JAK_target.pdbqt | data/4E/4EHZ-JAK/4EHZ-JAK_decoys.pdbqt | data/4E/4EHZ-JAK/4EHZ-JAK_decoy_scores.csv |
4E9U-RWY | data/4E/4E9U-RWY/4E9U-RWY_ligand.pdbqt | data/4E/4E9U-RWY/4E9U-RWY_target.pdbqt | data/4E/4E9U-RWY/4E9U-RWY_decoys.pdbqt | data/4E/4E9U-RWY/4E9U-RWY_decoy_scores.csv |
4E1N-TQX | data/4E/4E1N-TQX/4E1N-TQX_ligand.pdbqt | data/4E/4E1N-TQX/4E1N-TQX_target.pdbqt | null | null |
4ERE-0R2 | data/4E/4ERE-0R2/4ERE-0R2_ligand.pdbqt | data/4E/4ERE-0R2/4ERE-0R2_target.pdbqt | data/4E/4ERE-0R2/4ERE-0R2_decoys.pdbqt | data/4E/4ERE-0R2/4ERE-0R2_decoy_scores.csv |
4EBK-TOY | data/4E/4EBK-TOY/4EBK-TOY_ligand.pdbqt | data/4E/4EBK-TOY/4EBK-TOY_target.pdbqt | data/4E/4EBK-TOY/4EBK-TOY_decoys.pdbqt | data/4E/4EBK-TOY/4EBK-TOY_decoy_scores.csv |
4EPT-GDP | data/4E/4EPT-GDP/4EPT-GDP_ligand.pdbqt | data/4E/4EPT-GDP/4EPT-GDP_target.pdbqt | data/4E/4EPT-GDP/4EPT-GDP_decoys.pdbqt | data/4E/4EPT-GDP/4EPT-GDP_decoy_scores.csv |
4EZ8-DHF | data/4E/4EZ8-DHF/4EZ8-DHF_ligand.pdbqt | data/4E/4EZ8-DHF/4EZ8-DHF_target.pdbqt | data/4E/4EZ8-DHF/4EZ8-DHF_decoys.pdbqt | data/4E/4EZ8-DHF/4EZ8-DHF_decoy_scores.csv |
4E9M-FLC | data/4E/4E9M-FLC/4E9M-FLC_ligand.pdbqt | data/4E/4E9M-FLC/4E9M-FLC_target.pdbqt | data/4E/4E9M-FLC/4E9M-FLC_decoys.pdbqt | data/4E/4E9M-FLC/4E9M-FLC_decoy_scores.csv |
4EQH-WSA | data/4E/4EQH-WSA/4EQH-WSA_ligand.pdbqt | data/4E/4EQH-WSA/4EQH-WSA_target.pdbqt | data/4E/4EQH-WSA/4EQH-WSA_decoys.pdbqt | data/4E/4EQH-WSA/4EQH-WSA_decoy_scores.csv |
4EUE-NAI | data/4E/4EUE-NAI/4EUE-NAI_ligand.pdbqt | data/4E/4EUE-NAI/4EUE-NAI_target.pdbqt | data/4E/4EUE-NAI/4EUE-NAI_decoys.pdbqt | data/4E/4EUE-NAI/4EUE-NAI_decoy_scores.csv |
4EH7-IRG | data/4E/4EH7-IRG/4EH7-IRG_ligand.pdbqt | data/4E/4EH7-IRG/4EH7-IRG_target.pdbqt | data/4E/4EH7-IRG/4EH7-IRG_decoys.pdbqt | data/4E/4EH7-IRG/4EH7-IRG_decoy_scores.csv |
4EH9-0OQ | data/4E/4EH9-0OQ/4EH9-0OQ_ligand.pdbqt | data/4E/4EH9-0OQ/4EH9-0OQ_target.pdbqt | data/4E/4EH9-0OQ/4EH9-0OQ_decoys.pdbqt | data/4E/4EH9-0OQ/4EH9-0OQ_decoy_scores.csv |
4ED4-ATP | data/4E/4ED4-ATP/4ED4-ATP_ligand.pdbqt | data/4E/4ED4-ATP/4ED4-ATP_target.pdbqt | data/4E/4ED4-ATP/4ED4-ATP_decoys.pdbqt | data/4E/4ED4-ATP/4ED4-ATP_decoy_scores.csv |
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