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 ⌀ |
|---|---|---|---|---|
2WEC-PP5 | data/2W/2WEC-PP5/2WEC-PP5_ligand.pdbqt | data/2W/2WEC-PP5/2WEC-PP5_target.pdbqt | data/2W/2WEC-PP5/2WEC-PP5_decoys.pdbqt | data/2W/2WEC-PP5/2WEC-PP5_decoy_scores.csv |
2WUE-KEK | data/2W/2WUE-KEK/2WUE-KEK_ligand.pdbqt | data/2W/2WUE-KEK/2WUE-KEK_target.pdbqt | data/2W/2WUE-KEK/2WUE-KEK_decoys.pdbqt | data/2W/2WUE-KEK/2WUE-KEK_decoy_scores.csv |
2W26-RIV | data/2W/2W26-RIV/2W26-RIV_ligand.pdbqt | data/2W/2W26-RIV/2W26-RIV_target.pdbqt | data/2W/2W26-RIV/2W26-RIV_decoys.pdbqt | data/2W/2W26-RIV/2W26-RIV_decoy_scores.csv |
2WE5-ADP | data/2W/2WE5-ADP/2WE5-ADP_ligand.pdbqt | data/2W/2WE5-ADP/2WE5-ADP_target.pdbqt | data/2W/2WE5-ADP/2WE5-ADP_decoys.pdbqt | data/2W/2WE5-ADP/2WE5-ADP_decoy_scores.csv |
2WDZ-NAD | data/2W/2WDZ-NAD/2WDZ-NAD_ligand.pdbqt | data/2W/2WDZ-NAD/2WDZ-NAD_target.pdbqt | data/2W/2WDZ-NAD/2WDZ-NAD_decoys.pdbqt | data/2W/2WDZ-NAD/2WDZ-NAD_decoy_scores.csv |
2WZI-5FN | data/2W/2WZI-5FN/2WZI-5FN_ligand.pdbqt | data/2W/2WZI-5FN/2WZI-5FN_target.pdbqt | data/2W/2WZI-5FN/2WZI-5FN_decoys.pdbqt | data/2W/2WZI-5FN/2WZI-5FN_decoy_scores.csv |
2W0X-PD2 | data/2W/2W0X-PD2/2W0X-PD2_ligand.pdbqt | data/2W/2W0X-PD2/2W0X-PD2_target.pdbqt | data/2W/2W0X-PD2/2W0X-PD2_decoys.pdbqt | data/2W/2W0X-PD2/2W0X-PD2_decoy_scores.csv |
2WQ5-MIY | data/2W/2WQ5-MIY/2WQ5-MIY_ligand.pdbqt | data/2W/2WQ5-MIY/2WQ5-MIY_target.pdbqt | data/2W/2WQ5-MIY/2WQ5-MIY_decoys.pdbqt | data/2W/2WQ5-MIY/2WQ5-MIY_decoy_scores.csv |
2WE1-UMP | data/2W/2WE1-UMP/2WE1-UMP_ligand.pdbqt | data/2W/2WE1-UMP/2WE1-UMP_target.pdbqt | data/2W/2WE1-UMP/2WE1-UMP_decoys.pdbqt | data/2W/2WE1-UMP/2WE1-UMP_decoy_scores.csv |
2WVT-FHN | data/2W/2WVT-FHN/2WVT-FHN_ligand.pdbqt | data/2W/2WVT-FHN/2WVT-FHN_target.pdbqt | data/2W/2WVT-FHN/2WVT-FHN_decoys.pdbqt | data/2W/2WVT-FHN/2WVT-FHN_decoy_scores.csv |
2W58-ADP | data/2W/2W58-ADP/2W58-ADP_ligand.pdbqt | data/2W/2W58-ADP/2W58-ADP_target.pdbqt | data/2W/2W58-ADP/2W58-ADP_decoys.pdbqt | data/2W/2W58-ADP/2W58-ADP_decoy_scores.csv |
2WGT-18D | data/2W/2WGT-18D/2WGT-18D_ligand.pdbqt | data/2W/2WGT-18D/2WGT-18D_target.pdbqt | data/2W/2WGT-18D/2WGT-18D_decoys.pdbqt | data/2W/2WGT-18D/2WGT-18D_decoy_scores.csv |
2WVG-TPU | data/2W/2WVG-TPU/2WVG-TPU_ligand.pdbqt | data/2W/2WVG-TPU/2WVG-TPU_target.pdbqt | data/2W/2WVG-TPU/2WVG-TPU_decoys.pdbqt | data/2W/2WVG-TPU/2WVG-TPU_decoy_scores.csv |
2WOG-ZZD | data/2W/2WOG-ZZD/2WOG-ZZD_ligand.pdbqt | data/2W/2WOG-ZZD/2WOG-ZZD_target.pdbqt | data/2W/2WOG-ZZD/2WOG-ZZD_decoys.pdbqt | data/2W/2WOG-ZZD/2WOG-ZZD_decoy_scores.csv |
2W3M-FOL | data/2W/2W3M-FOL/2W3M-FOL_ligand.pdbqt | data/2W/2W3M-FOL/2W3M-FOL_target.pdbqt | data/2W/2W3M-FOL/2W3M-FOL_decoys.pdbqt | data/2W/2W3M-FOL/2W3M-FOL_decoy_scores.csv |
2WBB-RO3 | data/2W/2WBB-RO3/2WBB-RO3_ligand.pdbqt | data/2W/2WBB-RO3/2WBB-RO3_target.pdbqt | data/2W/2WBB-RO3/2WBB-RO3_decoys.pdbqt | data/2W/2WBB-RO3/2WBB-RO3_decoy_scores.csv |
2W8W-PLS | data/2W/2W8W-PLS/2W8W-PLS_ligand.pdbqt | data/2W/2W8W-PLS/2W8W-PLS_target.pdbqt | data/2W/2W8W-PLS/2W8W-PLS_decoys.pdbqt | data/2W/2W8W-PLS/2W8W-PLS_decoy_scores.csv |
2WCU-FUC | data/2W/2WCU-FUC/2WCU-FUC_ligand.pdbqt | data/2W/2WCU-FUC/2WCU-FUC_target.pdbqt | data/2W/2WCU-FUC/2WCU-FUC_decoys.pdbqt | data/2W/2WCU-FUC/2WCU-FUC_decoy_scores.csv |
2W5A-ADP | data/2W/2W5A-ADP/2W5A-ADP_ligand.pdbqt | data/2W/2W5A-ADP/2W5A-ADP_target.pdbqt | data/2W/2W5A-ADP/2W5A-ADP_decoys.pdbqt | data/2W/2W5A-ADP/2W5A-ADP_decoy_scores.csv |
2W0J-ZAT | data/2W/2W0J-ZAT/2W0J-ZAT_ligand.pdbqt | data/2W/2W0J-ZAT/2W0J-ZAT_target.pdbqt | data/2W/2W0J-ZAT/2W0J-ZAT_decoys.pdbqt | data/2W/2W0J-ZAT/2W0J-ZAT_decoy_scores.csv |
2WIC-GNP | data/2W/2WIC-GNP/2WIC-GNP_ligand.pdbqt | data/2W/2WIC-GNP/2WIC-GNP_target.pdbqt | data/2W/2WIC-GNP/2WIC-GNP_decoys.pdbqt | data/2W/2WIC-GNP/2WIC-GNP_decoy_scores.csv |
2W22-EGC | data/2W/2W22-EGC/2W22-EGC_ligand.pdbqt | data/2W/2W22-EGC/2W22-EGC_target.pdbqt | data/2W/2W22-EGC/2W22-EGC_decoys.pdbqt | data/2W/2W22-EGC/2W22-EGC_decoy_scores.csv |
2WGU-42D | data/2W/2WGU-42D/2WGU-42D_ligand.pdbqt | data/2W/2WGU-42D/2WGU-42D_target.pdbqt | data/2W/2WGU-42D/2WGU-42D_decoys.pdbqt | data/2W/2WGU-42D/2WGU-42D_decoy_scores.csv |
2W2V-GTP | data/2W/2W2V-GTP/2W2V-GTP_ligand.pdbqt | data/2W/2W2V-GTP/2W2V-GTP_target.pdbqt | data/2W/2W2V-GTP/2W2V-GTP_decoys.pdbqt | data/2W/2W2V-GTP/2W2V-GTP_decoy_scores.csv |
2WF4-ZY4 | data/2W/2WF4-ZY4/2WF4-ZY4_ligand.pdbqt | data/2W/2WF4-ZY4/2WF4-ZY4_target.pdbqt | data/2W/2WF4-ZY4/2WF4-ZY4_decoys.pdbqt | data/2W/2WF4-ZY4/2WF4-ZY4_decoy_scores.csv |
2WPF-WPF | data/2W/2WPF-WPF/2WPF-WPF_ligand.pdbqt | data/2W/2WPF-WPF/2WPF-WPF_target.pdbqt | data/2W/2WPF-WPF/2WPF-WPF_decoys.pdbqt | data/2W/2WPF-WPF/2WPF-WPF_decoy_scores.csv |
2WED-PP6 | data/2W/2WED-PP6/2WED-PP6_ligand.pdbqt | data/2W/2WED-PP6/2WED-PP6_target.pdbqt | data/2W/2WED-PP6/2WED-PP6_decoys.pdbqt | data/2W/2WED-PP6/2WED-PP6_decoy_scores.csv |
2WVP-420 | data/2W/2WVP-420/2WVP-420_ligand.pdbqt | data/2W/2WVP-420/2WVP-420_target.pdbqt | data/2W/2WVP-420/2WVP-420_decoys.pdbqt | data/2W/2WVP-420/2WVP-420_decoy_scores.csv |
2WQ9-OLA | data/2W/2WQ9-OLA/2WQ9-OLA_ligand.pdbqt | data/2W/2WQ9-OLA/2WQ9-OLA_target.pdbqt | data/2W/2WQ9-OLA/2WQ9-OLA_decoys.pdbqt | data/2W/2WQ9-OLA/2WQ9-OLA_decoy_scores.csv |
2WUF-KEM | data/2W/2WUF-KEM/2WUF-KEM_ligand.pdbqt | data/2W/2WUF-KEM/2WUF-KEM_target.pdbqt | data/2W/2WUF-KEM/2WUF-KEM_decoys.pdbqt | data/2W/2WUF-KEM/2WUF-KEM_decoy_scores.csv |
2WD1-ZZY | data/2W/2WD1-ZZY/2WD1-ZZY_ligand.pdbqt | data/2W/2WD1-ZZY/2WD1-ZZY_target.pdbqt | data/2W/2WD1-ZZY/2WD1-ZZY_decoys.pdbqt | data/2W/2WD1-ZZY/2WD1-ZZY_decoy_scores.csv |
2WE0-UMP | data/2W/2WE0-UMP/2WE0-UMP_ligand.pdbqt | data/2W/2WE0-UMP/2WE0-UMP_target.pdbqt | data/2W/2WE0-UMP/2WE0-UMP_decoys.pdbqt | data/2W/2WE0-UMP/2WE0-UMP_decoy_scores.csv |
2WPB-ZZI | data/2W/2WPB-ZZI/2WPB-ZZI_ligand.pdbqt | data/2W/2WPB-ZZI/2WPB-ZZI_target.pdbqt | data/2W/2WPB-ZZI/2WPB-ZZI_decoys.pdbqt | data/2W/2WPB-ZZI/2WPB-ZZI_decoy_scores.csv |
2WET-TRP | data/2W/2WET-TRP/2WET-TRP_ligand.pdbqt | data/2W/2WET-TRP/2WET-TRP_target.pdbqt | data/2W/2WET-TRP/2WET-TRP_decoys.pdbqt | data/2W/2WET-TRP/2WET-TRP_decoy_scores.csv |
2WEZ-ZYE | data/2W/2WEZ-ZYE/2WEZ-ZYE_ligand.pdbqt | data/2W/2WEZ-ZYE/2WEZ-ZYE_target.pdbqt | data/2W/2WEZ-ZYE/2WEZ-ZYE_decoys.pdbqt | data/2W/2WEZ-ZYE/2WEZ-ZYE_decoy_scores.csv |
2WBK-M2F | data/2W/2WBK-M2F/2WBK-M2F_ligand.pdbqt | data/2W/2WBK-M2F/2WBK-M2F_target.pdbqt | data/2W/2WBK-M2F/2WBK-M2F_decoys.pdbqt | data/2W/2WBK-M2F/2WBK-M2F_decoy_scores.csv |
2WPN-SBY | data/2W/2WPN-SBY/2WPN-SBY_ligand.pdbqt | data/2W/2WPN-SBY/2WPN-SBY_target.pdbqt | data/2W/2WPN-SBY/2WPN-SBY_decoys.pdbqt | data/2W/2WPN-SBY/2WPN-SBY_decoy_scores.csv |
2WO6-D15 | data/2W/2WO6-D15/2WO6-D15_ligand.pdbqt | data/2W/2WO6-D15/2WO6-D15_target.pdbqt | data/2W/2WO6-D15/2WO6-D15_decoys.pdbqt | data/2W/2WO6-D15/2WO6-D15_decoy_scores.csv |
2WTX-UDP | data/2W/2WTX-UDP/2WTX-UDP_ligand.pdbqt | data/2W/2WTX-UDP/2WTX-UDP_target.pdbqt | data/2W/2WTX-UDP/2WTX-UDP_decoys.pdbqt | data/2W/2WTX-UDP/2WTX-UDP_decoy_scores.csv |
2WC1-FMN | data/2W/2WC1-FMN/2WC1-FMN_ligand.pdbqt | data/2W/2WC1-FMN/2WC1-FMN_target.pdbqt | data/2W/2WC1-FMN/2WC1-FMN_decoys.pdbqt | data/2W/2WC1-FMN/2WC1-FMN_decoy_scores.csv |
2WR8-SAH | data/2W/2WR8-SAH/2WR8-SAH_ligand.pdbqt | data/2W/2WR8-SAH/2WR8-SAH_target.pdbqt | data/2W/2WR8-SAH/2WR8-SAH_decoys.pdbqt | data/2W/2WR8-SAH/2WR8-SAH_decoy_scores.csv |
2WM4-VGJ | data/2W/2WM4-VGJ/2WM4-VGJ_ligand.pdbqt | data/2W/2WM4-VGJ/2WM4-VGJ_target.pdbqt | data/2W/2WM4-VGJ/2WM4-VGJ_decoys.pdbqt | data/2W/2WM4-VGJ/2WM4-VGJ_decoy_scores.csv |
2W98-P1Z | data/2W/2W98-P1Z/2W98-P1Z_ligand.pdbqt | data/2W/2W98-P1Z/2W98-P1Z_target.pdbqt | data/2W/2W98-P1Z/2W98-P1Z_decoys.pdbqt | data/2W/2W98-P1Z/2W98-P1Z_decoy_scores.csv |
2WF6-BG6 | data/2W/2WF6-BG6/2WF6-BG6_ligand.pdbqt | data/2W/2WF6-BG6/2WF6-BG6_target.pdbqt | null | null |
2WF9-G6P | data/2W/2WF9-G6P/2WF9-G6P_ligand.pdbqt | data/2W/2WF9-G6P/2WF9-G6P_target.pdbqt | null | null |
2WOJ-ADP | data/2W/2WOJ-ADP/2WOJ-ADP_ligand.pdbqt | data/2W/2WOJ-ADP/2WOJ-ADP_target.pdbqt | null | null |
2W3A-TOP | data/2W/2W3A-TOP/2W3A-TOP_ligand.pdbqt | data/2W/2W3A-TOP/2W3A-TOP_target.pdbqt | data/2W/2W3A-TOP/2W3A-TOP_decoys.pdbqt | data/2W/2W3A-TOP/2W3A-TOP_decoy_scores.csv |
2WLY-NGT | data/2W/2WLY-NGT/2WLY-NGT_ligand.pdbqt | data/2W/2WLY-NGT/2WLY-NGT_target.pdbqt | data/2W/2WLY-NGT/2WLY-NGT_decoys.pdbqt | data/2W/2WLY-NGT/2WLY-NGT_decoy_scores.csv |
2W3Y-PLM | data/2W/2W3Y-PLM/2W3Y-PLM_ligand.pdbqt | data/2W/2W3Y-PLM/2W3Y-PLM_target.pdbqt | data/2W/2W3Y-PLM/2W3Y-PLM_decoys.pdbqt | data/2W/2W3Y-PLM/2W3Y-PLM_decoy_scores.csv |
2W4I-DGL | data/2W/2W4I-DGL/2W4I-DGL_ligand.pdbqt | data/2W/2W4I-DGL/2W4I-DGL_target.pdbqt | data/2W/2W4I-DGL/2W4I-DGL_decoys.pdbqt | data/2W/2W4I-DGL/2W4I-DGL_decoy_scores.csv |
2WEO-FBW | data/2W/2WEO-FBW/2WEO-FBW_ligand.pdbqt | data/2W/2WEO-FBW/2WEO-FBW_target.pdbqt | data/2W/2WEO-FBW/2WEO-FBW_decoys.pdbqt | data/2W/2WEO-FBW/2WEO-FBW_decoy_scores.csv |
2WQQ-CSF | data/2W/2WQQ-CSF/2WQQ-CSF_ligand.pdbqt | data/2W/2WQQ-CSF/2WQQ-CSF_target.pdbqt | data/2W/2WQQ-CSF/2WQQ-CSF_decoys.pdbqt | data/2W/2WQQ-CSF/2WQQ-CSF_decoy_scores.csv |
2W7X-D1A | data/2W/2W7X-D1A/2W7X-D1A_ligand.pdbqt | data/2W/2W7X-D1A/2W7X-D1A_target.pdbqt | data/2W/2W7X-D1A/2W7X-D1A_decoys.pdbqt | data/2W/2W7X-D1A/2W7X-D1A_decoy_scores.csv |
2WE2-UMP | data/2W/2WE2-UMP/2WE2-UMP_ligand.pdbqt | data/2W/2WE2-UMP/2WE2-UMP_target.pdbqt | data/2W/2WE2-UMP/2WE2-UMP_decoys.pdbqt | data/2W/2WE2-UMP/2WE2-UMP_decoy_scores.csv |
2W9G-TOP | data/2W/2W9G-TOP/2W9G-TOP_ligand.pdbqt | data/2W/2W9G-TOP/2W9G-TOP_target.pdbqt | data/2W/2W9G-TOP/2W9G-TOP_decoys.pdbqt | data/2W/2W9G-TOP/2W9G-TOP_decoy_scores.csv |
2W87-GCU | data/2W/2W87-GCU/2W87-GCU_ligand.pdbqt | data/2W/2W87-GCU/2W87-GCU_target.pdbqt | data/2W/2W87-GCU/2W87-GCU_decoys.pdbqt | data/2W/2W87-GCU/2W87-GCU_decoy_scores.csv |
2WZ6-ZO0 | data/2W/2WZ6-ZO0/2WZ6-ZO0_ligand.pdbqt | data/2W/2WZ6-ZO0/2WZ6-ZO0_target.pdbqt | data/2W/2WZ6-ZO0/2WZ6-ZO0_decoys.pdbqt | data/2W/2WZ6-ZO0/2WZ6-ZO0_decoy_scores.csv |
2WV8-ORO | data/2W/2WV8-ORO/2WV8-ORO_ligand.pdbqt | data/2W/2WV8-ORO/2WV8-ORO_target.pdbqt | data/2W/2WV8-ORO/2WV8-ORO_decoys.pdbqt | data/2W/2WV8-ORO/2WV8-ORO_decoy_scores.csv |
2WC4-AMF | data/2W/2WC4-AMF/2WC4-AMF_ligand.pdbqt | data/2W/2WC4-AMF/2WC4-AMF_target.pdbqt | data/2W/2WC4-AMF/2WC4-AMF_decoys.pdbqt | data/2W/2WC4-AMF/2WC4-AMF_decoy_scores.csv |
2WL5-DNO | data/2W/2WL5-DNO/2WL5-DNO_ligand.pdbqt | data/2W/2WL5-DNO/2WL5-DNO_target.pdbqt | data/2W/2WL5-DNO/2WL5-DNO_decoys.pdbqt | data/2W/2WL5-DNO/2WL5-DNO_decoy_scores.csv |
2WD8-VGF | data/2W/2WD8-VGF/2WD8-VGF_ligand.pdbqt | data/2W/2WD8-VGF/2WD8-VGF_target.pdbqt | data/2W/2WD8-VGF/2WD8-VGF_decoys.pdbqt | data/2W/2WD8-VGF/2WD8-VGF_decoy_scores.csv |
2WJP-D17 | data/2W/2WJP-D17/2WJP-D17_ligand.pdbqt | data/2W/2WJP-D17/2WJP-D17_target.pdbqt | data/2W/2WJP-D17/2WJP-D17_decoys.pdbqt | data/2W/2WJP-D17/2WJP-D17_decoy_scores.csv |
2W1A-TSA | data/2W/2W1A-TSA/2W1A-TSA_ligand.pdbqt | data/2W/2W1A-TSA/2W1A-TSA_target.pdbqt | data/2W/2W1A-TSA/2W1A-TSA_decoys.pdbqt | data/2W/2W1A-TSA/2W1A-TSA_decoy_scores.csv |
2W90-6PG | data/2W/2W90-6PG/2W90-6PG_ligand.pdbqt | data/2W/2W90-6PG/2W90-6PG_target.pdbqt | data/2W/2W90-6PG/2W90-6PG_decoys.pdbqt | data/2W/2W90-6PG/2W90-6PG_decoy_scores.csv |
2WYB-DAO | data/2W/2WYB-DAO/2WYB-DAO_ligand.pdbqt | data/2W/2WYB-DAO/2WYB-DAO_target.pdbqt | data/2W/2WYB-DAO/2WYB-DAO_decoys.pdbqt | data/2W/2WYB-DAO/2WYB-DAO_decoy_scores.csv |
2WEJ-FB2 | data/2W/2WEJ-FB2/2WEJ-FB2_ligand.pdbqt | data/2W/2WEJ-FB2/2WEJ-FB2_target.pdbqt | data/2W/2WEJ-FB2/2WEJ-FB2_decoys.pdbqt | data/2W/2WEJ-FB2/2WEJ-FB2_decoy_scores.csv |
2WCM-B9M | data/2W/2WCM-B9M/2WCM-B9M_ligand.pdbqt | data/2W/2WCM-B9M/2WCM-B9M_target.pdbqt | data/2W/2WCM-B9M/2WCM-B9M_decoys.pdbqt | data/2W/2WCM-B9M/2WCM-B9M_decoy_scores.csv |
2WBQ-ZZU | data/2W/2WBQ-ZZU/2WBQ-ZZU_ligand.pdbqt | data/2W/2WBQ-ZZU/2WBQ-ZZU_target.pdbqt | data/2W/2WBQ-ZZU/2WBQ-ZZU_decoys.pdbqt | data/2W/2WBQ-ZZU/2WBQ-ZZU_decoy_scores.csv |
2WI3-ZZ3 | data/2W/2WI3-ZZ3/2WI3-ZZ3_ligand.pdbqt | data/2W/2WI3-ZZ3/2WI3-ZZ3_target.pdbqt | data/2W/2WI3-ZZ3/2WI3-ZZ3_decoys.pdbqt | data/2W/2WI3-ZZ3/2WI3-ZZ3_decoy_scores.csv |
2WMN-GDP | data/2W/2WMN-GDP/2WMN-GDP_ligand.pdbqt | data/2W/2WMN-GDP/2WMN-GDP_target.pdbqt | data/2W/2WMN-GDP/2WMN-GDP_decoys.pdbqt | data/2W/2WMN-GDP/2WMN-GDP_decoy_scores.csv |
2WZF-UDP | data/2W/2WZF-UDP/2WZF-UDP_ligand.pdbqt | data/2W/2WZF-UDP/2WZF-UDP_target.pdbqt | data/2W/2WZF-UDP/2WZF-UDP_decoys.pdbqt | data/2W/2WZF-UDP/2WZF-UDP_decoy_scores.csv |
2WF1-ZY1 | data/2W/2WF1-ZY1/2WF1-ZY1_ligand.pdbqt | data/2W/2WF1-ZY1/2WF1-ZY1_target.pdbqt | data/2W/2WF1-ZY1/2WF1-ZY1_decoys.pdbqt | data/2W/2WF1-ZY1/2WF1-ZY1_decoy_scores.csv |
2WKR-GTP | data/2W/2WKR-GTP/2WKR-GTP_ligand.pdbqt | data/2W/2WKR-GTP/2WKR-GTP_target.pdbqt | data/2W/2WKR-GTP/2WKR-GTP_decoys.pdbqt | data/2W/2WKR-GTP/2WKR-GTP_decoy_scores.csv |
2WHI-P3S | data/2W/2WHI-P3S/2WHI-P3S_ligand.pdbqt | data/2W/2WHI-P3S/2WHI-P3S_target.pdbqt | data/2W/2WHI-P3S/2WHI-P3S_decoys.pdbqt | data/2W/2WHI-P3S/2WHI-P3S_decoy_scores.csv |
2WF0-ZY0 | data/2W/2WF0-ZY0/2WF0-ZY0_ligand.pdbqt | data/2W/2WF0-ZY0/2WF0-ZY0_target.pdbqt | data/2W/2WF0-ZY0/2WF0-ZY0_decoys.pdbqt | data/2W/2WF0-ZY0/2WF0-ZY0_decoy_scores.csv |
2WPC-WP7 | data/2W/2WPC-WP7/2WPC-WP7_ligand.pdbqt | data/2W/2WPC-WP7/2WPC-WP7_target.pdbqt | data/2W/2WPC-WP7/2WPC-WP7_decoys.pdbqt | data/2W/2WPC-WP7/2WPC-WP7_decoy_scores.csv |
2WJ6-ZZ8 | data/2W/2WJ6-ZZ8/2WJ6-ZZ8_ligand.pdbqt | data/2W/2WJ6-ZZ8/2WJ6-ZZ8_target.pdbqt | data/2W/2WJ6-ZZ8/2WJ6-ZZ8_decoys.pdbqt | data/2W/2WJ6-ZZ8/2WJ6-ZZ8_decoy_scores.csv |
2WU4-HBP | data/2W/2WU4-HBP/2WU4-HBP_ligand.pdbqt | data/2W/2WU4-HBP/2WU4-HBP_target.pdbqt | data/2W/2WU4-HBP/2WU4-HBP_decoys.pdbqt | data/2W/2WU4-HBP/2WU4-HBP_decoy_scores.csv |
2W08-TPO | data/2W/2W08-TPO/2W08-TPO_ligand.pdbqt | data/2W/2W08-TPO/2W08-TPO_target.pdbqt | data/2W/2W08-TPO/2W08-TPO_decoys.pdbqt | data/2W/2W08-TPO/2W08-TPO_decoy_scores.csv |
2WKP-GTP | data/2W/2WKP-GTP/2WKP-GTP_ligand.pdbqt | data/2W/2WKP-GTP/2WKP-GTP_target.pdbqt | data/2W/2WKP-GTP/2WKP-GTP_decoys.pdbqt | data/2W/2WKP-GTP/2WKP-GTP_decoy_scores.csv |
2WZD-ADP | data/2W/2WZD-ADP/2WZD-ADP_ligand.pdbqt | data/2W/2WZD-ADP/2WZD-ADP_target.pdbqt | null | null |
2WHP-P6G | data/2W/2WHP-P6G/2WHP-P6G_ligand.pdbqt | data/2W/2WHP-P6G/2WHP-P6G_target.pdbqt | data/2W/2WHP-P6G/2WHP-P6G_decoys.pdbqt | data/2W/2WHP-P6G/2WHP-P6G_decoy_scores.csv |
2W6M-OA1 | data/2W/2W6M-OA1/2W6M-OA1_ligand.pdbqt | data/2W/2W6M-OA1/2W6M-OA1_target.pdbqt | data/2W/2W6M-OA1/2W6M-OA1_decoys.pdbqt | data/2W/2W6M-OA1/2W6M-OA1_decoy_scores.csv |
2WI5-ZZ5 | data/2W/2WI5-ZZ5/2WI5-ZZ5_ligand.pdbqt | data/2W/2WI5-ZZ5/2WI5-ZZ5_target.pdbqt | data/2W/2WI5-ZZ5/2WI5-ZZ5_decoys.pdbqt | data/2W/2WI5-ZZ5/2WI5-ZZ5_decoy_scores.csv |
2WJN-MPG | data/2W/2WJN-MPG/2WJN-MPG_ligand.pdbqt | data/2W/2WJN-MPG/2WJN-MPG_target.pdbqt | data/2W/2WJN-MPG/2WJN-MPG_decoys.pdbqt | data/2W/2WJN-MPG/2WJN-MPG_decoy_scores.csv |
2WTX-VDO | data/2W/2WTX-VDO/2WTX-VDO_ligand.pdbqt | data/2W/2WTX-VDO/2WTX-VDO_target.pdbqt | data/2W/2WTX-VDO/2WTX-VDO_decoys.pdbqt | data/2W/2WTX-VDO/2WTX-VDO_decoy_scores.csv |
2W6N-OA2 | data/2W/2W6N-OA2/2W6N-OA2_ligand.pdbqt | data/2W/2W6N-OA2/2W6N-OA2_target.pdbqt | data/2W/2W6N-OA2/2W6N-OA2_decoys.pdbqt | data/2W/2W6N-OA2/2W6N-OA2_decoy_scores.csv |
2W5G-ATP | data/2W/2W5G-ATP/2W5G-ATP_ligand.pdbqt | data/2W/2W5G-ATP/2W5G-ATP_target.pdbqt | data/2W/2W5G-ATP/2W5G-ATP_decoys.pdbqt | data/2W/2W5G-ATP/2W5G-ATP_decoy_scores.csv |
2WKW-W22 | data/2W/2WKW-W22/2WKW-W22_ligand.pdbqt | data/2W/2WKW-W22/2WKW-W22_target.pdbqt | data/2W/2WKW-W22/2WKW-W22_decoys.pdbqt | data/2W/2WKW-W22/2WKW-W22_decoy_scores.csv |
2WJG-GDP | data/2W/2WJG-GDP/2WJG-GDP_ligand.pdbqt | data/2W/2WJG-GDP/2WJG-GDP_target.pdbqt | data/2W/2WJG-GDP/2WJG-GDP_decoys.pdbqt | data/2W/2WJG-GDP/2WJG-GDP_decoy_scores.csv |
2W8J-PLS | data/2W/2W8J-PLS/2W8J-PLS_ligand.pdbqt | data/2W/2W8J-PLS/2W8J-PLS_target.pdbqt | data/2W/2W8J-PLS/2W8J-PLS_decoys.pdbqt | data/2W/2W8J-PLS/2W8J-PLS_decoy_scores.csv |
2WMX-ZY6 | data/2W/2WMX-ZY6/2WMX-ZY6_ligand.pdbqt | data/2W/2WMX-ZY6/2WMX-ZY6_target.pdbqt | data/2W/2WMX-ZY6/2WMX-ZY6_decoys.pdbqt | data/2W/2WMX-ZY6/2WMX-ZY6_decoy_scores.csv |
2WGH-DTP | data/2W/2WGH-DTP/2WGH-DTP_ligand.pdbqt | data/2W/2WGH-DTP/2WGH-DTP_target.pdbqt | data/2W/2WGH-DTP/2WGH-DTP_decoys.pdbqt | data/2W/2WGH-DTP/2WGH-DTP_decoy_scores.csv |
2WZ0-ZZT | data/2W/2WZ0-ZZT/2WZ0-ZZT_ligand.pdbqt | data/2W/2WZ0-ZZT/2WZ0-ZZT_target.pdbqt | data/2W/2WZ0-ZZT/2WZ0-ZZT_decoys.pdbqt | data/2W/2WZ0-ZZT/2WZ0-ZZT_decoy_scores.csv |
2WEI-VGG | data/2W/2WEI-VGG/2WEI-VGG_ligand.pdbqt | data/2W/2WEI-VGG/2WEI-VGG_target.pdbqt | data/2W/2WEI-VGG/2WEI-VGG_decoys.pdbqt | data/2W/2WEI-VGG/2WEI-VGG_decoy_scores.csv |
2WEA-PP6 | data/2W/2WEA-PP6/2WEA-PP6_ligand.pdbqt | data/2W/2WEA-PP6/2WEA-PP6_target.pdbqt | data/2W/2WEA-PP6/2WEA-PP6_decoys.pdbqt | data/2W/2WEA-PP6/2WEA-PP6_decoy_scores.csv |
2WWG-DGP | data/2W/2WWG-DGP/2WWG-DGP_ligand.pdbqt | data/2W/2WWG-DGP/2WWG-DGP_target.pdbqt | data/2W/2WWG-DGP/2WWG-DGP_decoys.pdbqt | data/2W/2WWG-DGP/2WWG-DGP_decoy_scores.csv |
2WEG-FBV | data/2W/2WEG-FBV/2WEG-FBV_ligand.pdbqt | data/2W/2WEG-FBV/2WEG-FBV_target.pdbqt | data/2W/2WEG-FBV/2WEG-FBV_decoys.pdbqt | data/2W/2WEG-FBV/2WEG-FBV_decoy_scores.csv |
2WKH-ZZ7 | data/2W/2WKH-ZZ7/2WKH-ZZ7_ligand.pdbqt | data/2W/2WKH-ZZ7/2WKH-ZZ7_target.pdbqt | data/2W/2WKH-ZZ7/2WKH-ZZ7_decoys.pdbqt | data/2W/2WKH-ZZ7/2WKH-ZZ7_decoy_scores.csv |
2WLY-SN5 | data/2W/2WLY-SN5/2WLY-SN5_ligand.pdbqt | data/2W/2WLY-SN5/2WLY-SN5_target.pdbqt | data/2W/2WLY-SN5/2WLY-SN5_decoys.pdbqt | data/2W/2WLY-SN5/2WLY-SN5_decoy_scores.csv |
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