Datasets:
jiangteam
/
DecoyDB

Dataset card Data Studio Files
xet
Community
1
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
⌀
35C8-NOX
data/35/35C8-NOX/35C8-NOX_ligand.pdbqt
data/35/35C8-NOX/35C8-NOX_target.pdbqt
data/35/35C8-NOX/35C8-NOX_decoys.pdbqt
data/35/35C8-NOX/35C8-NOX_decoy_scores.csv
4WLB-3QQ
data/4W/4WLB-3QQ/4WLB-3QQ_ligand.pdbqt
data/4W/4WLB-3QQ/4WLB-3QQ_target.pdbqt
data/4W/4WLB-3QQ/4WLB-3QQ_decoys.pdbqt
data/4W/4WLB-3QQ/4WLB-3QQ_decoy_scores.csv
4WHF-3MX
data/4W/4WHF-3MX/4WHF-3MX_ligand.pdbqt
data/4W/4WHF-3MX/4WHF-3MX_target.pdbqt
data/4W/4WHF-3MX/4WHF-3MX_decoys.pdbqt
data/4W/4WHF-3MX/4WHF-3MX_decoy_scores.csv
4WY1-3VO
data/4W/4WY1-3VO/4WY1-3VO_ligand.pdbqt
data/4W/4WY1-3VO/4WY1-3VO_target.pdbqt
data/4W/4WY1-3VO/4WY1-3VO_decoys.pdbqt
data/4W/4WY1-3VO/4WY1-3VO_decoy_scores.csv
4WO0-AGI
data/4W/4WO0-AGI/4WO0-AGI_ligand.pdbqt
data/4W/4WO0-AGI/4WO0-AGI_target.pdbqt
data/4W/4WO0-AGI/4WO0-AGI_decoys.pdbqt
data/4W/4WO0-AGI/4WO0-AGI_decoy_scores.csv
4W1V-3GS
data/4W/4W1V-3GS/4W1V-3GS_ligand.pdbqt
data/4W/4W1V-3GS/4W1V-3GS_target.pdbqt
data/4W/4W1V-3GS/4W1V-3GS_decoys.pdbqt
data/4W/4W1V-3GS/4W1V-3GS_decoy_scores.csv
4WVL-3US
data/4W/4WVL-3US/4WVL-3US_ligand.pdbqt
data/4W/4WVL-3US/4WVL-3US_target.pdbqt
data/4W/4WVL-3US/4WVL-3US_decoys.pdbqt
data/4W/4WVL-3US/4WVL-3US_decoy_scores.csv
4WOP-CTP
data/4W/4WOP-CTP/4WOP-CTP_ligand.pdbqt
data/4W/4WOP-CTP/4WOP-CTP_target.pdbqt
data/4W/4WOP-CTP/4WOP-CTP_decoys.pdbqt
data/4W/4WOP-CTP/4WOP-CTP_decoy_scores.csv
4W9C-3JG
data/4W/4W9C-3JG/4W9C-3JG_ligand.pdbqt
data/4W/4W9C-3JG/4W9C-3JG_target.pdbqt
null
null
4WWZ-3X1
data/4W/4WWZ-3X1/4WWZ-3X1_ligand.pdbqt
data/4W/4WWZ-3X1/4WWZ-3X1_target.pdbqt
data/4W/4WWZ-3X1/4WWZ-3X1_decoys.pdbqt
data/4W/4WWZ-3X1/4WWZ-3X1_decoy_scores.csv
4W58-3H2
data/4W/4W58-3H2/4W58-3H2_ligand.pdbqt
data/4W/4W58-3H2/4W58-3H2_target.pdbqt
data/4W/4W58-3H2/4W58-3H2_decoys.pdbqt
data/4W/4W58-3H2/4W58-3H2_decoy_scores.csv
4WA3-FUC
data/4W/4WA3-FUC/4WA3-FUC_ligand.pdbqt
data/4W/4WA3-FUC/4WA3-FUC_target.pdbqt
data/4W/4WA3-FUC/4WA3-FUC_decoys.pdbqt
data/4W/4WA3-FUC/4WA3-FUC_decoy_scores.csv
4W9O-3JQ
data/4W/4W9O-3JQ/4W9O-3JQ_ligand.pdbqt
data/4W/4W9O-3JQ/4W9O-3JQ_target.pdbqt
data/4W/4W9O-3JQ/4W9O-3JQ_decoys.pdbqt
data/4W/4W9O-3JQ/4W9O-3JQ_decoy_scores.csv
4W8E-3JB
data/4W/4W8E-3JB/4W8E-3JB_ligand.pdbqt
data/4W/4W8E-3JB/4W8E-3JB_target.pdbqt
data/4W/4W8E-3JB/4W8E-3JB_decoys.pdbqt
data/4W/4W8E-3JB/4W8E-3JB_decoy_scores.csv
4W4S-B29
data/4W/4W4S-B29/4W4S-B29_ligand.pdbqt
data/4W/4W4S-B29/4W4S-B29_target.pdbqt
data/4W/4W4S-B29/4W4S-B29_decoys.pdbqt
data/4W/4W4S-B29/4W4S-B29_decoy_scores.csv
4WKM-MUB
data/4W/4WKM-MUB/4WKM-MUB_ligand.pdbqt
data/4W/4WKM-MUB/4WKM-MUB_target.pdbqt
data/4W/4WKM-MUB/4WKM-MUB_decoys.pdbqt
data/4W/4WKM-MUB/4WKM-MUB_decoy_scores.csv
4WLA-HC4
data/4W/4WLA-HC4/4WLA-HC4_ligand.pdbqt
data/4W/4WLA-HC4/4WLA-HC4_target.pdbqt
data/4W/4WLA-HC4/4WLA-HC4_decoys.pdbqt
data/4W/4WLA-HC4/4WLA-HC4_decoy_scores.csv
4WBD-ADP
data/4W/4WBD-ADP/4WBD-ADP_ligand.pdbqt
data/4W/4WBD-ADP/4WBD-ADP_target.pdbqt
data/4W/4WBD-ADP/4WBD-ADP_decoys.pdbqt
data/4W/4WBD-ADP/4WBD-ADP_decoy_scores.csv
4WBT-PE4
data/4W/4WBT-PE4/4WBT-PE4_ligand.pdbqt
data/4W/4WBT-PE4/4WBT-PE4_target.pdbqt
data/4W/4WBT-PE4/4WBT-PE4_decoys.pdbqt
data/4W/4WBT-PE4/4WBT-PE4_decoy_scores.csv
4WN5-MVC
data/4W/4WN5-MVC/4WN5-MVC_ligand.pdbqt
data/4W/4WN5-MVC/4WN5-MVC_target.pdbqt
data/4W/4WN5-MVC/4WN5-MVC_decoys.pdbqt
data/4W/4WN5-MVC/4WN5-MVC_decoy_scores.csv
4WS5-5NU
data/4W/4WS5-5NU/4WS5-5NU_ligand.pdbqt
data/4W/4WS5-5NU/4WS5-5NU_target.pdbqt
data/4W/4WS5-5NU/4WS5-5NU_decoys.pdbqt
data/4W/4WS5-5NU/4WS5-5NU_decoy_scores.csv
4WX2-F6F
data/4W/4WX2-F6F/4WX2-F6F_ligand.pdbqt
data/4W/4WX2-F6F/4WX2-F6F_target.pdbqt
data/4W/4WX2-F6F/4WX2-F6F_decoys.pdbqt
data/4W/4WX2-F6F/4WX2-F6F_decoy_scores.csv
4WQ4-ATP
data/4W/4WQ4-ATP/4WQ4-ATP_ligand.pdbqt
data/4W/4WQ4-ATP/4WQ4-ATP_target.pdbqt
data/4W/4WQ4-ATP/4WQ4-ATP_decoys.pdbqt
data/4W/4WQ4-ATP/4WQ4-ATP_decoy_scores.csv
4WNM-3RT
data/4W/4WNM-3RT/4WNM-3RT_ligand.pdbqt
data/4W/4WNM-3RT/4WNM-3RT_target.pdbqt
data/4W/4WNM-3RT/4WNM-3RT_decoys.pdbqt
data/4W/4WNM-3RT/4WNM-3RT_decoy_scores.csv
4WML-PPC
data/4W/4WML-PPC/4WML-PPC_ligand.pdbqt
data/4W/4WML-PPC/4WML-PPC_target.pdbqt
data/4W/4WML-PPC/4WML-PPC_decoys.pdbqt
data/4W/4WML-PPC/4WML-PPC_decoy_scores.csv
4WNP-3RJ
data/4W/4WNP-3RJ/4WNP-3RJ_ligand.pdbqt
data/4W/4WNP-3RJ/4WNP-3RJ_target.pdbqt
data/4W/4WNP-3RJ/4WNP-3RJ_decoys.pdbqt
data/4W/4WNP-3RJ/4WNP-3RJ_decoy_scores.csv
4WQP-3SX
data/4W/4WQP-3SX/4WQP-3SX_ligand.pdbqt
data/4W/4WQP-3SX/4WQP-3SX_target.pdbqt
data/4W/4WQP-3SX/4WQP-3SX_decoys.pdbqt
data/4W/4WQP-3SX/4WQP-3SX_decoy_scores.csv
4WZA-HCA
data/4W/4WZA-HCA/4WZA-HCA_ligand.pdbqt
data/4W/4WZA-HCA/4WZA-HCA_target.pdbqt
null
null
4WX6-3VK
data/4W/4WX6-3VK/4WX6-3VK_ligand.pdbqt
data/4W/4WX6-3VK/4WX6-3VK_target.pdbqt
data/4W/4WX6-3VK/4WX6-3VK_decoys.pdbqt
data/4W/4WX6-3VK/4WX6-3VK_decoy_scores.csv
4WYW-3PO
data/4W/4WYW-3PO/4WYW-3PO_ligand.pdbqt
data/4W/4WYW-3PO/4WYW-3PO_target.pdbqt
data/4W/4WYW-3PO/4WYW-3PO_decoys.pdbqt
data/4W/4WYW-3PO/4WYW-3PO_decoy_scores.csv
4WNA-HCA
data/4W/4WNA-HCA/4WNA-HCA_ligand.pdbqt
data/4W/4WNA-HCA/4WNA-HCA_target.pdbqt
null
null
4WDU-WDU
data/4W/4WDU-WDU/4WDU-WDU_ligand.pdbqt
data/4W/4WDU-WDU/4WDU-WDU_target.pdbqt
data/4W/4WDU-WDU/4WDU-WDU_decoys.pdbqt
data/4W/4WDU-WDU/4WDU-WDU_decoy_scores.csv
4WG3-UWA
data/4W/4WG3-UWA/4WG3-UWA_ligand.pdbqt
data/4W/4WG3-UWA/4WG3-UWA_target.pdbqt
data/4W/4WG3-UWA/4WG3-UWA_decoys.pdbqt
data/4W/4WG3-UWA/4WG3-UWA_decoy_scores.csv
4WB7-ATP
data/4W/4WB7-ATP/4WB7-ATP_ligand.pdbqt
data/4W/4WB7-ATP/4WB7-ATP_target.pdbqt
data/4W/4WB7-ATP/4WB7-ATP_decoys.pdbqt
data/4W/4WB7-ATP/4WB7-ATP_decoy_scores.csv
4WUT-FCB
data/4W/4WUT-FCB/4WUT-FCB_ligand.pdbqt
data/4W/4WUT-FCB/4WUT-FCB_target.pdbqt
data/4W/4WUT-FCB/4WUT-FCB_decoys.pdbqt
data/4W/4WUT-FCB/4WUT-FCB_decoy_scores.csv
4WUQ-3UG
data/4W/4WUQ-3UG/4WUQ-3UG_ligand.pdbqt
data/4W/4WUQ-3UG/4WUQ-3UG_target.pdbqt
data/4W/4WUQ-3UG/4WUQ-3UG_decoys.pdbqt
data/4W/4WUQ-3UG/4WUQ-3UG_decoy_scores.csv
4WZB-HCA
data/4W/4WZB-HCA/4WZB-HCA_ligand.pdbqt
data/4W/4WZB-HCA/4WZB-HCA_target.pdbqt
null
null
4WI1-3O6
data/4W/4WI1-3O6/4WI1-3O6_ligand.pdbqt
data/4W/4WI1-3O6/4WI1-3O6_target.pdbqt
data/4W/4WI1-3O6/4WI1-3O6_decoys.pdbqt
data/4W/4WI1-3O6/4WI1-3O6_decoy_scores.csv
4WKN-TDI
data/4W/4WKN-TDI/4WKN-TDI_ligand.pdbqt
data/4W/4WKN-TDI/4WKN-TDI_target.pdbqt
data/4W/4WKN-TDI/4WKN-TDI_decoys.pdbqt
data/4W/4WKN-TDI/4WKN-TDI_decoy_scores.csv
4WER-AMP
data/4W/4WER-AMP/4WER-AMP_ligand.pdbqt
data/4W/4WER-AMP/4WER-AMP_target.pdbqt
data/4W/4WER-AMP/4WER-AMP_decoys.pdbqt
data/4W/4WER-AMP/4WER-AMP_decoy_scores.csv
4WPU-PEP
data/4W/4WPU-PEP/4WPU-PEP_ligand.pdbqt
data/4W/4WPU-PEP/4WPU-PEP_target.pdbqt
data/4W/4WPU-PEP/4WPU-PEP_decoys.pdbqt
data/4W/4WPU-PEP/4WPU-PEP_decoy_scores.csv
4WF4-WF4
data/4W/4WF4-WF4/4WF4-WF4_ligand.pdbqt
data/4W/4WF4-WF4/4WF4-WF4_target.pdbqt
data/4W/4WF4-WF4/4WF4-WF4_decoys.pdbqt
data/4W/4WF4-WF4/4WF4-WF4_decoy_scores.csv
4W9P-3JR
data/4W/4W9P-3JR/4W9P-3JR_ligand.pdbqt
data/4W/4W9P-3JR/4W9P-3JR_target.pdbqt
data/4W/4W9P-3JR/4W9P-3JR_decoys.pdbqt
data/4W/4W9P-3JR/4W9P-3JR_decoy_scores.csv
4WCU-3KQ
data/4W/4WCU-3KQ/4WCU-3KQ_ligand.pdbqt
data/4W/4WCU-3KQ/4WCU-3KQ_target.pdbqt
data/4W/4WCU-3KQ/4WCU-3KQ_decoys.pdbqt
data/4W/4WCU-3KQ/4WCU-3KQ_decoy_scores.csv
4WU2-I3P
data/4W/4WU2-I3P/4WU2-I3P_ligand.pdbqt
data/4W/4WU2-I3P/4WU2-I3P_target.pdbqt
data/4W/4WU2-I3P/4WU2-I3P_decoys.pdbqt
data/4W/4WU2-I3P/4WU2-I3P_decoy_scores.csv
4WFR-2AM
data/4W/4WFR-2AM/4WFR-2AM_ligand.pdbqt
data/4W/4WFR-2AM/4WFR-2AM_target.pdbqt
data/4W/4WFR-2AM/4WFR-2AM_decoys.pdbqt
data/4W/4WFR-2AM/4WFR-2AM_decoy_scores.csv
4WCX-SAM
data/4W/4WCX-SAM/4WCX-SAM_ligand.pdbqt
data/4W/4WCX-SAM/4WCX-SAM_target.pdbqt
data/4W/4WCX-SAM/4WCX-SAM_decoys.pdbqt
data/4W/4WCX-SAM/4WCX-SAM_decoy_scores.csv
4WW5-ANP
data/4W/4WW5-ANP/4WW5-ANP_ligand.pdbqt
data/4W/4WW5-ANP/4WW5-ANP_target.pdbqt
data/4W/4WW5-ANP/4WW5-ANP_decoys.pdbqt
data/4W/4WW5-ANP/4WW5-ANP_decoy_scores.csv
4WH7-8H8
data/4W/4WH7-8H8/4WH7-8H8_ligand.pdbqt
data/4W/4WH7-8H8/4WH7-8H8_target.pdbqt
data/4W/4WH7-8H8/4WH7-8H8_decoys.pdbqt
data/4W/4WH7-8H8/4WH7-8H8_decoy_scores.csv
4WOD-ARG
data/4W/4WOD-ARG/4WOD-ARG_ligand.pdbqt
data/4W/4WOD-ARG/4WOD-ARG_target.pdbqt
data/4W/4WOD-ARG/4WOD-ARG_decoys.pdbqt
data/4W/4WOD-ARG/4WOD-ARG_decoy_scores.csv
4WXR-3VZ
data/4W/4WXR-3VZ/4WXR-3VZ_ligand.pdbqt
data/4W/4WXR-3VZ/4WXR-3VZ_target.pdbqt
data/4W/4WXR-3VZ/4WXR-3VZ_decoys.pdbqt
data/4W/4WXR-3VZ/4WXR-3VZ_decoy_scores.csv
4WT6-3U6
data/4W/4WT6-3U6/4WT6-3U6_ligand.pdbqt
data/4W/4WT6-3U6/4WT6-3U6_target.pdbqt
data/4W/4WT6-3U6/4WT6-3U6_decoys.pdbqt
data/4W/4WT6-3U6/4WT6-3U6_decoy_scores.csv
4WNC-NAD
data/4W/4WNC-NAD/4WNC-NAD_ligand.pdbqt
data/4W/4WNC-NAD/4WNC-NAD_target.pdbqt
data/4W/4WNC-NAD/4WNC-NAD_decoys.pdbqt
data/4W/4WNC-NAD/4WNC-NAD_decoy_scores.csv
4WOE-3S5
data/4W/4WOE-3S5/4WOE-3S5_ligand.pdbqt
data/4W/4WOE-3S5/4WOE-3S5_target.pdbqt
data/4W/4WOE-3S5/4WOE-3S5_decoys.pdbqt
data/4W/4WOE-3S5/4WOE-3S5_decoy_scores.csv
4WXQ-P6G
data/4W/4WXQ-P6G/4WXQ-P6G_ligand.pdbqt
data/4W/4WXQ-P6G/4WXQ-P6G_target.pdbqt
data/4W/4WXQ-P6G/4WXQ-P6G_decoys.pdbqt
data/4W/4WXQ-P6G/4WXQ-P6G_decoy_scores.csv
4W4W-3HJ
data/4W/4W4W-3HJ/4W4W-3HJ_ligand.pdbqt
data/4W/4W4W-3HJ/4W4W-3HJ_target.pdbqt
data/4W/4W4W-3HJ/4W4W-3HJ_decoys.pdbqt
data/4W/4W4W-3HJ/4W4W-3HJ_decoy_scores.csv
4WRE-INS
data/4W/4WRE-INS/4WRE-INS_ligand.pdbqt
data/4W/4WRE-INS/4WRE-INS_target.pdbqt
data/4W/4WRE-INS/4WRE-INS_decoys.pdbqt
data/4W/4WRE-INS/4WRE-INS_decoy_scores.csv
4WW6-BCN
data/4W/4WW6-BCN/4WW6-BCN_ligand.pdbqt
data/4W/4WW6-BCN/4WW6-BCN_target.pdbqt
data/4W/4WW6-BCN/4WW6-BCN_decoys.pdbqt
data/4W/4WW6-BCN/4WW6-BCN_decoy_scores.csv
4WDG-A2P
data/4W/4WDG-A2P/4WDG-A2P_ligand.pdbqt
data/4W/4WDG-A2P/4WDG-A2P_target.pdbqt
data/4W/4WDG-A2P/4WDG-A2P_decoys.pdbqt
data/4W/4WDG-A2P/4WDG-A2P_decoy_scores.csv
4WG5-UW3
data/4W/4WG5-UW3/4WG5-UW3_ligand.pdbqt
data/4W/4WG5-UW3/4WG5-UW3_target.pdbqt
data/4W/4WG5-UW3/4WG5-UW3_decoys.pdbqt
data/4W/4WG5-UW3/4WG5-UW3_decoy_scores.csv
4WYG-3W1
data/4W/4WYG-3W1/4WYG-3W1_ligand.pdbqt
data/4W/4WYG-3W1/4WYG-3W1_target.pdbqt
data/4W/4WYG-3W1/4WYG-3W1_decoys.pdbqt
data/4W/4WYG-3W1/4WYG-3W1_decoy_scores.csv
4WW9-ADP
data/4W/4WW9-ADP/4WW9-ADP_ligand.pdbqt
data/4W/4WW9-ADP/4WW9-ADP_target.pdbqt
data/4W/4WW9-ADP/4WW9-ADP_decoys.pdbqt
data/4W/4WW9-ADP/4WW9-ADP_decoy_scores.csv
4WHW-3OT
data/4W/4WHW-3OT/4WHW-3OT_ligand.pdbqt
data/4W/4WHW-3OT/4WHW-3OT_target.pdbqt
data/4W/4WHW-3OT/4WHW-3OT_decoys.pdbqt
data/4W/4WHW-3OT/4WHW-3OT_decoy_scores.csv
4WNJ-QUE
data/4W/4WNJ-QUE/4WNJ-QUE_ligand.pdbqt
data/4W/4WNJ-QUE/4WNJ-QUE_target.pdbqt
data/4W/4WNJ-QUE/4WNJ-QUE_decoys.pdbqt
data/4W/4WNJ-QUE/4WNJ-QUE_decoy_scores.csv
4WDW-WDW
data/4W/4WDW-WDW/4WDW-WDW_ligand.pdbqt
data/4W/4WDW-WDW/4WDW-WDW_target.pdbqt
data/4W/4WDW-WDW/4WDW-WDW_decoys.pdbqt
data/4W/4WDW-WDW/4WDW-WDW_decoy_scores.csv
4WKI-3PW
data/4W/4WKI-3PW/4WKI-3PW_ligand.pdbqt
data/4W/4WKI-3PW/4WKI-3PW_target.pdbqt
data/4W/4WKI-3PW/4WKI-3PW_decoys.pdbqt
data/4W/4WKI-3PW/4WKI-3PW_decoy_scores.csv
4WQ6-3TQ
data/4W/4WQ6-3TQ/4WQ6-3TQ_ligand.pdbqt
data/4W/4WQ6-3TQ/4WQ6-3TQ_target.pdbqt
data/4W/4WQ6-3TQ/4WQ6-3TQ_decoys.pdbqt
data/4W/4WQ6-3TQ/4WQ6-3TQ_decoy_scores.csv
4WT9-PG6
data/4W/4WT9-PG6/4WT9-PG6_ligand.pdbqt
data/4W/4WT9-PG6/4WT9-PG6_target.pdbqt
data/4W/4WT9-PG6/4WT9-PG6_decoys.pdbqt
data/4W/4WT9-PG6/4WT9-PG6_decoy_scores.csv
4WCD-3KH
data/4W/4WCD-3KH/4WCD-3KH_ligand.pdbqt
data/4W/4WCD-3KH/4WCD-3KH_target.pdbqt
data/4W/4WCD-3KH/4WCD-3KH_decoys.pdbqt
data/4W/4WCD-3KH/4WCD-3KH_decoy_scores.csv
4W1O-3GJ
data/4W/4W1O-3GJ/4W1O-3GJ_ligand.pdbqt
data/4W/4W1O-3GJ/4W1O-3GJ_target.pdbqt
data/4W/4W1O-3GJ/4W1O-3GJ_decoys.pdbqt
data/4W/4W1O-3GJ/4W1O-3GJ_decoy_scores.csv
4W1W-3G8
data/4W/4W1W-3G8/4W1W-3G8_ligand.pdbqt
data/4W/4W1W-3G8/4W1W-3G8_target.pdbqt
data/4W/4W1W-3G8/4W1W-3G8_decoys.pdbqt
data/4W/4W1W-3G8/4W1W-3G8_decoy_scores.csv
4WPF-3SN
data/4W/4WPF-3SN/4WPF-3SN_ligand.pdbqt
data/4W/4WPF-3SN/4WPF-3SN_target.pdbqt
data/4W/4WPF-3SN/4WPF-3SN_decoys.pdbqt
data/4W/4WPF-3SN/4WPF-3SN_decoy_scores.csv
4WRB-3TW
data/4W/4WRB-3TW/4WRB-3TW_ligand.pdbqt
data/4W/4WRB-3TW/4WRB-3TW_target.pdbqt
data/4W/4WRB-3TW/4WRB-3TW_decoys.pdbqt
data/4W/4WRB-3TW/4WRB-3TW_decoy_scores.csv
4WOU-GDP
data/4W/4WOU-GDP/4WOU-GDP_ligand.pdbqt
data/4W/4WOU-GDP/4WOU-GDP_target.pdbqt
data/4W/4WOU-GDP/4WOU-GDP_decoys.pdbqt
data/4W/4WOU-GDP/4WOU-GDP_decoy_scores.csv
4WUO-IPM
data/4W/4WUO-IPM/4WUO-IPM_ligand.pdbqt
data/4W/4WUO-IPM/4WUO-IPM_target.pdbqt
data/4W/4WUO-IPM/4WUO-IPM_decoys.pdbqt
data/4W/4WUO-IPM/4WUO-IPM_decoy_scores.csv
4WH9-3M8
data/4W/4WH9-3M8/4WH9-3M8_ligand.pdbqt
data/4W/4WH9-3M8/4WH9-3M8_target.pdbqt
data/4W/4WH9-3M8/4WH9-3M8_decoys.pdbqt
data/4W/4WH9-3M8/4WH9-3M8_decoy_scores.csv
4WV9-MD4
data/4W/4WV9-MD4/4WV9-MD4_ligand.pdbqt
data/4W/4WV9-MD4/4WV9-MD4_target.pdbqt
data/4W/4WV9-MD4/4WV9-MD4_decoys.pdbqt
data/4W/4WV9-MD4/4WV9-MD4_decoy_scores.csv
4WA7-GDP
data/4W/4WA7-GDP/4WA7-GDP_ligand.pdbqt
data/4W/4WA7-GDP/4WA7-GDP_target.pdbqt
data/4W/4WA7-GDP/4WA7-GDP_decoys.pdbqt
data/4W/4WA7-GDP/4WA7-GDP_decoy_scores.csv
4WPN-3ST
data/4W/4WPN-3ST/4WPN-3ST_ligand.pdbqt
data/4W/4WPN-3ST/4WPN-3ST_target.pdbqt
null
null
4WYD-3VR
data/4W/4WYD-3VR/4WYD-3VR_ligand.pdbqt
data/4W/4WYD-3VR/4WYD-3VR_target.pdbqt
data/4W/4WYD-3VR/4WYD-3VR_decoys.pdbqt
data/4W/4WYD-3VR/4WYD-3VR_decoy_scores.csv
4WQM-BTB
data/4W/4WQM-BTB/4WQM-BTB_ligand.pdbqt
data/4W/4WQM-BTB/4WQM-BTB_target.pdbqt
data/4W/4WQM-BTB/4WQM-BTB_decoys.pdbqt
data/4W/4WQM-BTB/4WQM-BTB_decoy_scores.csv
4WHR-3NJ
data/4W/4WHR-3NJ/4WHR-3NJ_ligand.pdbqt
data/4W/4WHR-3NJ/4WHR-3NJ_target.pdbqt
data/4W/4WHR-3NJ/4WHR-3NJ_decoys.pdbqt
data/4W/4WHR-3NJ/4WHR-3NJ_decoy_scores.csv
4WN3-3R3
data/4W/4WN3-3R3/4WN3-3R3_ligand.pdbqt
data/4W/4WN3-3R3/4WN3-3R3_target.pdbqt
data/4W/4WN3-3R3/4WN3-3R3_decoys.pdbqt
data/4W/4WN3-3R3/4WN3-3R3_decoy_scores.csv
4WFF-D10
data/4W/4WFF-D10/4WFF-D10_ligand.pdbqt
data/4W/4WFF-D10/4WFF-D10_target.pdbqt
data/4W/4WFF-D10/4WFF-D10_decoys.pdbqt
data/4W/4WFF-D10/4WFF-D10_decoy_scores.csv
4WVF-GNP
data/4W/4WVF-GNP/4WVF-GNP_ligand.pdbqt
data/4W/4WVF-GNP/4WVF-GNP_target.pdbqt
data/4W/4WVF-GNP/4WVF-GNP_decoys.pdbqt
data/4W/4WVF-GNP/4WVF-GNP_decoy_scores.csv
4WJT-3P9
data/4W/4WJT-3P9/4WJT-3P9_ligand.pdbqt
data/4W/4WJT-3P9/4WJT-3P9_target.pdbqt
data/4W/4WJT-3P9/4WJT-3P9_decoys.pdbqt
data/4W/4WJT-3P9/4WJT-3P9_decoy_scores.csv
4WZB-ACP
data/4W/4WZB-ACP/4WZB-ACP_ligand.pdbqt
data/4W/4WZB-ACP/4WZB-ACP_target.pdbqt
data/4W/4WZB-ACP/4WZB-ACP_decoys.pdbqt
data/4W/4WZB-ACP/4WZB-ACP_decoy_scores.csv
4W9J-3JH
data/4W/4W9J-3JH/4W9J-3JH_ligand.pdbqt
data/4W/4W9J-3JH/4W9J-3JH_target.pdbqt
null
null
4W9H-3JF
data/4W/4W9H-3JF/4W9H-3JF_ligand.pdbqt
data/4W/4W9H-3JF/4W9H-3JF_target.pdbqt
null
null
4WB5-ATP
data/4W/4WB5-ATP/4WB5-ATP_ligand.pdbqt
data/4W/4WB5-ATP/4WB5-ATP_target.pdbqt
data/4W/4WB5-ATP/4WB5-ATP_decoys.pdbqt
data/4W/4WB5-ATP/4WB5-ATP_decoy_scores.csv
4WBK-STE
data/4W/4WBK-STE/4WBK-STE_ligand.pdbqt
data/4W/4WBK-STE/4WBK-STE_target.pdbqt
data/4W/4WBK-STE/4WBK-STE_decoys.pdbqt
data/4W/4WBK-STE/4WBK-STE_decoy_scores.csv
4WR7-3TV
data/4W/4WR7-3TV/4WR7-3TV_ligand.pdbqt
data/4W/4WR7-3TV/4WR7-3TV_target.pdbqt
data/4W/4WR7-3TV/4WR7-3TV_decoys.pdbqt
data/4W/4WR7-3TV/4WR7-3TV_decoy_scores.csv
4WKE-3PU
data/4W/4WKE-3PU/4WKE-3PU_ligand.pdbqt
data/4W/4WKE-3PU/4WKE-3PU_target.pdbqt
data/4W/4WKE-3PU/4WKE-3PU_decoys.pdbqt
data/4W/4WKE-3PU/4WKE-3PU_decoy_scores.csv
4WK1-2BA
data/4W/4WK1-2BA/4WK1-2BA_ligand.pdbqt
data/4W/4WK1-2BA/4WK1-2BA_target.pdbqt
data/4W/4WK1-2BA/4WK1-2BA_decoys.pdbqt
data/4W/4WK1-2BA/4WK1-2BA_decoy_scores.csv
4WRD-THP
data/4W/4WRD-THP/4WRD-THP_ligand.pdbqt
data/4W/4WRD-THP/4WRD-THP_target.pdbqt
data/4W/4WRD-THP/4WRD-THP_decoys.pdbqt
data/4W/4WRD-THP/4WRD-THP_decoy_scores.csv
4WNS-3RL
data/4W/4WNS-3RL/4WNS-3RL_ligand.pdbqt
data/4W/4WNS-3RL/4WNS-3RL_target.pdbqt
data/4W/4WNS-3RL/4WNS-3RL_decoys.pdbqt
data/4W/4WNS-3RL/4WNS-3RL_decoy_scores.csv
4WY6-3VP
data/4W/4WY6-3VP/4WY6-3VP_ligand.pdbqt
data/4W/4WY6-3VP/4WY6-3VP_target.pdbqt
data/4W/4WY6-3VP/4WY6-3VP_decoys.pdbqt
data/4W/4WY6-3VP/4WY6-3VP_decoy_scores.csv
4WXH-3VL
data/4W/4WXH-3VL/4WXH-3VL_ligand.pdbqt
data/4W/4WXH-3VL/4WXH-3VL_target.pdbqt
data/4W/4WXH-3VL/4WXH-3VL_decoys.pdbqt
data/4W/4WXH-3VL/4WXH-3VL_decoy_scores.csv
4WSY-3U5
data/4W/4WSY-3U5/4WSY-3U5_ligand.pdbqt
data/4W/4WSY-3U5/4WSY-3U5_target.pdbqt
data/4W/4WSY-3U5/4WSY-3U5_decoys.pdbqt
data/4W/4WSY-3U5/4WSY-3U5_decoy_scores.csv
4WB8-ATP
data/4W/4WB8-ATP/4WB8-ATP_ligand.pdbqt
data/4W/4WB8-ATP/4WB8-ATP_target.pdbqt
data/4W/4WB8-ATP/4WB8-ATP_decoys.pdbqt
data/4W/4WB8-ATP/4WB8-ATP_decoy_scores.csv