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 ⌀ |
|---|---|---|---|---|
7SSE-B1I | data/7S/7SSE-B1I/7SSE-B1I_ligand.pdbqt | data/7S/7SSE-B1I/7SSE-B1I_target.pdbqt | data/7S/7SSE-B1I/7SSE-B1I_decoys.pdbqt | data/7S/7SSE-B1I/7SSE-B1I_decoy_scores.csv |
7S98-N6M | data/7S/7S98-N6M/7S98-N6M_ligand.pdbqt | data/7S/7S98-N6M/7S98-N6M_target.pdbqt | data/7S/7S98-N6M/7S98-N6M_decoys.pdbqt | data/7S/7S98-N6M/7S98-N6M_decoy_scores.csv |
7S49-GLA | data/7S/7S49-GLA/7S49-GLA_ligand.pdbqt | data/7S/7S49-GLA/7S49-GLA_target.pdbqt | data/7S/7S49-GLA/7S49-GLA_decoys.pdbqt | data/7S/7S49-GLA/7S49-GLA_decoy_scores.csv |
7SER-MTA | data/7S/7SER-MTA/7SER-MTA_ligand.pdbqt | data/7S/7SER-MTA/7SER-MTA_target.pdbqt | data/7S/7SER-MTA/7SER-MTA_decoys.pdbqt | data/7S/7SER-MTA/7SER-MTA_decoy_scores.csv |
7SNU-HFJ | data/7S/7SNU-HFJ/7SNU-HFJ_ligand.pdbqt | data/7S/7SNU-HFJ/7SNU-HFJ_target.pdbqt | data/7S/7SNU-HFJ/7SNU-HFJ_decoys.pdbqt | data/7S/7SNU-HFJ/7SNU-HFJ_decoy_scores.csv |
7SUY-C97 | data/7S/7SUY-C97/7SUY-C97_ligand.pdbqt | data/7S/7SUY-C97/7SUY-C97_target.pdbqt | data/7S/7SUY-C97/7SUY-C97_decoys.pdbqt | data/7S/7SUY-C97/7SUY-C97_decoy_scores.csv |
7S84-8IL | data/7S/7S84-8IL/7S84-8IL_ligand.pdbqt | data/7S/7S84-8IL/7S84-8IL_target.pdbqt | data/7S/7S84-8IL/7S84-8IL_decoys.pdbqt | data/7S/7S84-8IL/7S84-8IL_decoy_scores.csv |
7S0V-J1X | data/7S/7S0V-J1X/7S0V-J1X_ligand.pdbqt | data/7S/7S0V-J1X/7S0V-J1X_target.pdbqt | data/7S/7S0V-J1X/7S0V-J1X_decoys.pdbqt | data/7S/7S0V-J1X/7S0V-J1X_decoy_scores.csv |
7SF4-XDK | data/7S/7SF4-XDK/7SF4-XDK_ligand.pdbqt | data/7S/7SF4-XDK/7SF4-XDK_target.pdbqt | data/7S/7SF4-XDK/7SF4-XDK_decoys.pdbqt | data/7S/7SF4-XDK/7SF4-XDK_decoy_scores.csv |
7S1D-648 | data/7S/7S1D-648/7S1D-648_ligand.pdbqt | data/7S/7S1D-648/7S1D-648_target.pdbqt | data/7S/7S1D-648/7S1D-648_decoys.pdbqt | data/7S/7S1D-648/7S1D-648_decoy_scores.csv |
7S4K-P1O | data/7S/7S4K-P1O/7S4K-P1O_ligand.pdbqt | data/7S/7S4K-P1O/7S4K-P1O_target.pdbqt | data/7S/7S4K-P1O/7S4K-P1O_decoys.pdbqt | data/7S/7S4K-P1O/7S4K-P1O_decoy_scores.csv |
7SA3-BCR | data/7S/7SA3-BCR/7SA3-BCR_ligand.pdbqt | data/7S/7SA3-BCR/7SA3-BCR_target.pdbqt | data/7S/7SA3-BCR/7SA3-BCR_decoys.pdbqt | data/7S/7SA3-BCR/7SA3-BCR_decoy_scores.csv |
7SZS-GDP | data/7S/7SZS-GDP/7SZS-GDP_ligand.pdbqt | data/7S/7SZS-GDP/7SZS-GDP_target.pdbqt | data/7S/7SZS-GDP/7SZS-GDP_decoys.pdbqt | data/7S/7SZS-GDP/7SZS-GDP_decoy_scores.csv |
7S1N-86C | data/7S/7S1N-86C/7S1N-86C_ligand.pdbqt | data/7S/7S1N-86C/7S1N-86C_target.pdbqt | data/7S/7S1N-86C/7S1N-86C_decoys.pdbqt | data/7S/7S1N-86C/7S1N-86C_decoy_scores.csv |
7S3J-QRP | data/7S/7S3J-QRP/7S3J-QRP_ligand.pdbqt | data/7S/7S3J-QRP/7S3J-QRP_target.pdbqt | data/7S/7S3J-QRP/7S3J-QRP_decoys.pdbqt | data/7S/7S3J-QRP/7S3J-QRP_decoy_scores.csv |
7SCL-PLM | data/7S/7SCL-PLM/7SCL-PLM_ligand.pdbqt | data/7S/7SCL-PLM/7SCL-PLM_target.pdbqt | data/7S/7SCL-PLM/7SCL-PLM_decoys.pdbqt | data/7S/7SCL-PLM/7SCL-PLM_decoy_scores.csv |
7S4K-PLC | data/7S/7S4K-PLC/7S4K-PLC_ligand.pdbqt | data/7S/7S4K-PLC/7S4K-PLC_target.pdbqt | data/7S/7S4K-PLC/7S4K-PLC_decoys.pdbqt | data/7S/7S4K-PLC/7S4K-PLC_decoy_scores.csv |
7SNE-9XR | data/7S/7SNE-9XR/7SNE-9XR_ligand.pdbqt | data/7S/7SNE-9XR/7SNE-9XR_target.pdbqt | data/7S/7SNE-9XR/7SNE-9XR_decoys.pdbqt | data/7S/7SNE-9XR/7SNE-9XR_decoy_scores.csv |
7S24-OLC | data/7S/7S24-OLC/7S24-OLC_ligand.pdbqt | data/7S/7S24-OLC/7S24-OLC_target.pdbqt | data/7S/7S24-OLC/7S24-OLC_decoys.pdbqt | data/7S/7S24-OLC/7S24-OLC_decoy_scores.csv |
7S3Z-H4B | data/7S/7S3Z-H4B/7S3Z-H4B_ligand.pdbqt | data/7S/7S3Z-H4B/7S3Z-H4B_target.pdbqt | data/7S/7S3Z-H4B/7S3Z-H4B_decoys.pdbqt | data/7S/7S3Z-H4B/7S3Z-H4B_decoy_scores.csv |
7SU0-FLC | data/7S/7SU0-FLC/7SU0-FLC_ligand.pdbqt | data/7S/7SU0-FLC/7SU0-FLC_target.pdbqt | data/7S/7SU0-FLC/7SU0-FLC_decoys.pdbqt | data/7S/7SU0-FLC/7SU0-FLC_decoy_scores.csv |
7SVQ-NAD | data/7S/7SVQ-NAD/7SVQ-NAD_ligand.pdbqt | data/7S/7SVQ-NAD/7SVQ-NAD_target.pdbqt | data/7S/7SVQ-NAD/7SVQ-NAD_decoys.pdbqt | data/7S/7SVQ-NAD/7SVQ-NAD_decoy_scores.csv |
7SF3-90H | data/7S/7SF3-90H/7SF3-90H_ligand.pdbqt | data/7S/7SF3-90H/7SF3-90H_target.pdbqt | data/7S/7SF3-90H/7SF3-90H_decoys.pdbqt | data/7S/7SF3-90H/7SF3-90H_decoy_scores.csv |
7SZF-D82 | data/7S/7SZF-D82/7SZF-D82_ligand.pdbqt | data/7S/7SZF-D82/7SZF-D82_target.pdbqt | data/7S/7SZF-D82/7SZF-D82_decoys.pdbqt | data/7S/7SZF-D82/7SZF-D82_decoy_scores.csv |
7SGH-99W | data/7S/7SGH-99W/7SGH-99W_ligand.pdbqt | data/7S/7SGH-99W/7SGH-99W_target.pdbqt | data/7S/7SGH-99W/7SGH-99W_decoys.pdbqt | data/7S/7SGH-99W/7SGH-99W_decoy_scores.csv |
7S9F-94M | data/7S/7S9F-94M/7S9F-94M_ligand.pdbqt | data/7S/7S9F-94M/7S9F-94M_target.pdbqt | data/7S/7S9F-94M/7S9F-94M_decoys.pdbqt | data/7S/7S9F-94M/7S9F-94M_decoy_scores.csv |
7STD-CRP | data/7S/7STD-CRP/7STD-CRP_ligand.pdbqt | data/7S/7STD-CRP/7STD-CRP_target.pdbqt | data/7S/7STD-CRP/7STD-CRP_decoys.pdbqt | data/7S/7STD-CRP/7STD-CRP_decoy_scores.csv |
7SET-I70 | data/7S/7SET-I70/7SET-I70_ligand.pdbqt | data/7S/7SET-I70/7SET-I70_target.pdbqt | data/7S/7SET-I70/7SET-I70_decoys.pdbqt | data/7S/7SET-I70/7SET-I70_decoy_scores.csv |
7S4J-D10 | data/7S/7S4J-D10/7S4J-D10_ligand.pdbqt | data/7S/7S4J-D10/7S4J-D10_target.pdbqt | data/7S/7S4J-D10/7S4J-D10_decoys.pdbqt | data/7S/7S4J-D10/7S4J-D10_decoy_scores.csv |
7S4I-HXG | data/7S/7S4I-HXG/7S4I-HXG_ligand.pdbqt | data/7S/7S4I-HXG/7S4I-HXG_target.pdbqt | data/7S/7S4I-HXG/7S4I-HXG_decoys.pdbqt | data/7S/7S4I-HXG/7S4I-HXG_decoy_scores.csv |
7S0Z-GDP | data/7S/7S0Z-GDP/7S0Z-GDP_ligand.pdbqt | data/7S/7S0Z-GDP/7S0Z-GDP_target.pdbqt | data/7S/7S0Z-GDP/7S0Z-GDP_decoys.pdbqt | data/7S/7S0Z-GDP/7S0Z-GDP_decoy_scores.csv |
7SEC-8WP | data/7S/7SEC-8WP/7SEC-8WP_ligand.pdbqt | data/7S/7SEC-8WP/7SEC-8WP_target.pdbqt | data/7S/7SEC-8WP/7SEC-8WP_decoys.pdbqt | data/7S/7SEC-8WP/7SEC-8WP_decoy_scores.csv |
7S71-8H9 | data/7S/7S71-8H9/7S71-8H9_ligand.pdbqt | data/7S/7S71-8H9/7S71-8H9_target.pdbqt | data/7S/7S71-8H9/7S71-8H9_decoys.pdbqt | data/7S/7S71-8H9/7S71-8H9_decoy_scores.csv |
7SCW-GSP | data/7S/7SCW-GSP/7SCW-GSP_ligand.pdbqt | data/7S/7SCW-GSP/7SCW-GSP_target.pdbqt | data/7S/7SCW-GSP/7SCW-GSP_decoys.pdbqt | data/7S/7SCW-GSP/7SCW-GSP_decoy_scores.csv |
7S12-98C | data/7S/7S12-98C/7S12-98C_ligand.pdbqt | data/7S/7S12-98C/7S12-98C_target.pdbqt | data/7S/7S12-98C/7S12-98C_decoys.pdbqt | data/7S/7S12-98C/7S12-98C_decoy_scores.csv |
7S0U-81X | data/7S/7S0U-81X/7S0U-81X_ligand.pdbqt | data/7S/7S0U-81X/7S0U-81X_target.pdbqt | data/7S/7S0U-81X/7S0U-81X_decoys.pdbqt | data/7S/7S0U-81X/7S0U-81X_decoy_scores.csv |
7S7X-NHE | data/7S/7S7X-NHE/7S7X-NHE_ligand.pdbqt | data/7S/7S7X-NHE/7S7X-NHE_target.pdbqt | data/7S/7S7X-NHE/7S7X-NHE_decoys.pdbqt | data/7S/7S7X-NHE/7S7X-NHE_decoy_scores.csv |
7SSB-B4I | data/7S/7SSB-B4I/7SSB-B4I_ligand.pdbqt | data/7S/7SSB-B4I/7SSB-B4I_target.pdbqt | data/7S/7SSB-B4I/7SSB-B4I_decoys.pdbqt | data/7S/7SSB-B4I/7SSB-B4I_decoy_scores.csv |
7S50-CYC | data/7S/7S50-CYC/7S50-CYC_ligand.pdbqt | data/7S/7S50-CYC/7S50-CYC_target.pdbqt | data/7S/7S50-CYC/7S50-CYC_decoys.pdbqt | data/7S/7S50-CYC/7S50-CYC_decoy_scores.csv |
7S74-I68 | data/7S/7S74-I68/7S74-I68_ligand.pdbqt | data/7S/7S74-I68/7S74-I68_target.pdbqt | data/7S/7S74-I68/7S74-I68_decoys.pdbqt | data/7S/7S74-I68/7S74-I68_decoy_scores.csv |
7SNA-UED | data/7S/7SNA-UED/7SNA-UED_ligand.pdbqt | data/7S/7SNA-UED/7SNA-UED_target.pdbqt | data/7S/7SNA-UED/7SNA-UED_decoys.pdbqt | data/7S/7SNA-UED/7SNA-UED_decoy_scores.csv |
7S4H-PLC | data/7S/7S4H-PLC/7S4H-PLC_ligand.pdbqt | data/7S/7S4H-PLC/7S4H-PLC_target.pdbqt | data/7S/7S4H-PLC/7S4H-PLC_decoys.pdbqt | data/7S/7S4H-PLC/7S4H-PLC_decoy_scores.csv |
7SA0-8KQ | data/7S/7SA0-8KQ/7SA0-8KQ_ligand.pdbqt | data/7S/7SA0-8KQ/7SA0-8KQ_target.pdbqt | data/7S/7SA0-8KQ/7SA0-8KQ_decoys.pdbqt | data/7S/7SA0-8KQ/7SA0-8KQ_decoy_scores.csv |
7S4I-D10 | data/7S/7S4I-D10/7S4I-D10_ligand.pdbqt | data/7S/7S4I-D10/7S4I-D10_target.pdbqt | data/7S/7S4I-D10/7S4I-D10_decoys.pdbqt | data/7S/7S4I-D10/7S4I-D10_decoy_scores.csv |
7SSM-B7L | data/7S/7SSM-B7L/7SSM-B7L_ligand.pdbqt | data/7S/7SSM-B7L/7SSM-B7L_target.pdbqt | data/7S/7SSM-B7L/7SSM-B7L_decoys.pdbqt | data/7S/7SSM-B7L/7SSM-B7L_decoy_scores.csv |
7S1R-85E | data/7S/7S1R-85E/7S1R-85E_ligand.pdbqt | data/7S/7S1R-85E/7S1R-85E_target.pdbqt | data/7S/7S1R-85E/7S1R-85E_decoys.pdbqt | data/7S/7S1R-85E/7S1R-85E_decoy_scores.csv |
7SZC-DO0 | data/7S/7SZC-DO0/7SZC-DO0_ligand.pdbqt | data/7S/7SZC-DO0/7SZC-DO0_target.pdbqt | data/7S/7SZC-DO0/7SZC-DO0_decoys.pdbqt | data/7S/7SZC-DO0/7SZC-DO0_decoy_scores.csv |
7S4C-GLA | data/7S/7S4C-GLA/7S4C-GLA_ligand.pdbqt | data/7S/7S4C-GLA/7S4C-GLA_target.pdbqt | data/7S/7S4C-GLA/7S4C-GLA_decoys.pdbqt | data/7S/7S4C-GLA/7S4C-GLA_decoy_scores.csv |
7SHO-9UH | data/7S/7SHO-9UH/7SHO-9UH_ligand.pdbqt | data/7S/7SHO-9UH/7SHO-9UH_target.pdbqt | data/7S/7SHO-9UH/7SHO-9UH_decoys.pdbqt | data/7S/7SHO-9UH/7SHO-9UH_decoy_scores.csv |
7SF0-8NK | data/7S/7SF0-8NK/7SF0-8NK_ligand.pdbqt | data/7S/7SF0-8NK/7SF0-8NK_target.pdbqt | data/7S/7SF0-8NK/7SF0-8NK_decoys.pdbqt | data/7S/7SF0-8NK/7SF0-8NK_decoy_scores.csv |
7S85-8IQ | data/7S/7S85-8IQ/7S85-8IQ_ligand.pdbqt | data/7S/7S85-8IQ/7S85-8IQ_target.pdbqt | data/7S/7S85-8IQ/7S85-8IQ_decoys.pdbqt | data/7S/7S85-8IQ/7S85-8IQ_decoy_scores.csv |
7SOK-9XL | data/7S/7SOK-9XL/7SOK-9XL_ligand.pdbqt | data/7S/7SOK-9XL/7SOK-9XL_target.pdbqt | data/7S/7SOK-9XL/7SOK-9XL_decoys.pdbqt | data/7S/7SOK-9XL/7SOK-9XL_decoy_scores.csv |
7SUH-BXI | data/7S/7SUH-BXI/7SUH-BXI_ligand.pdbqt | data/7S/7SUH-BXI/7SUH-BXI_target.pdbqt | data/7S/7SUH-BXI/7SUH-BXI_decoys.pdbqt | data/7S/7SUH-BXI/7SUH-BXI_decoy_scores.csv |
7SS8-C0C | data/7S/7SS8-C0C/7SS8-C0C_ligand.pdbqt | data/7S/7SS8-C0C/7SS8-C0C_target.pdbqt | data/7S/7SS8-C0C/7SS8-C0C_decoys.pdbqt | data/7S/7SS8-C0C/7SS8-C0C_decoy_scores.csv |
7SE9-8W1 | data/7S/7SE9-8W1/7SE9-8W1_ligand.pdbqt | data/7S/7SE9-8W1/7SE9-8W1_target.pdbqt | data/7S/7SE9-8W1/7SE9-8W1_decoys.pdbqt | data/7S/7SE9-8W1/7SE9-8W1_decoy_scores.csv |
7S1F-5VB | data/7S/7S1F-5VB/7S1F-5VB_ligand.pdbqt | data/7S/7S1F-5VB/7S1F-5VB_target.pdbqt | data/7S/7S1F-5VB/7S1F-5VB_decoys.pdbqt | data/7S/7S1F-5VB/7S1F-5VB_decoy_scores.csv |
7SZ9-DJ5 | data/7S/7SZ9-DJ5/7SZ9-DJ5_ligand.pdbqt | data/7S/7SZ9-DJ5/7SZ9-DJ5_target.pdbqt | data/7S/7SZ9-DJ5/7SZ9-DJ5_decoys.pdbqt | data/7S/7SZ9-DJ5/7SZ9-DJ5_decoy_scores.csv |
7SJB-9MI | data/7S/7SJB-9MI/7SJB-9MI_ligand.pdbqt | data/7S/7SJB-9MI/7SJB-9MI_target.pdbqt | data/7S/7SJB-9MI/7SJB-9MI_decoys.pdbqt | data/7S/7SJB-9MI/7SJB-9MI_decoy_scores.csv |
7SUW-U77 | data/7S/7SUW-U77/7SUW-U77_ligand.pdbqt | data/7S/7SUW-U77/7SUW-U77_target.pdbqt | data/7S/7SUW-U77/7SUW-U77_decoys.pdbqt | data/7S/7SUW-U77/7SUW-U77_decoy_scores.csv |
7S41-87N | data/7S/7S41-87N/7S41-87N_ligand.pdbqt | data/7S/7S41-87N/7S41-87N_target.pdbqt | data/7S/7S41-87N/7S41-87N_decoys.pdbqt | data/7S/7S41-87N/7S41-87N_decoy_scores.csv |
7S3T-QRP | data/7S/7S3T-QRP/7S3T-QRP_ligand.pdbqt | data/7S/7S3T-QRP/7S3T-QRP_target.pdbqt | data/7S/7S3T-QRP/7S3T-QRP_decoys.pdbqt | data/7S/7S3T-QRP/7S3T-QRP_decoy_scores.csv |
7S0M-IPE | data/7S/7S0M-IPE/7S0M-IPE_ligand.pdbqt | data/7S/7S0M-IPE/7S0M-IPE_target.pdbqt | data/7S/7S0M-IPE/7S0M-IPE_decoys.pdbqt | data/7S/7S0M-IPE/7S0M-IPE_decoy_scores.csv |
7SHP-9UR | data/7S/7SHP-9UR/7SHP-9UR_ligand.pdbqt | data/7S/7SHP-9UR/7SHP-9UR_target.pdbqt | data/7S/7SHP-9UR/7SHP-9UR_decoys.pdbqt | data/7S/7SHP-9UR/7SHP-9UR_decoy_scores.csv |
7SDB-IHP | data/7S/7SDB-IHP/7SDB-IHP_ligand.pdbqt | data/7S/7SDB-IHP/7SDB-IHP_target.pdbqt | data/7S/7SDB-IHP/7SDB-IHP_decoys.pdbqt | data/7S/7SDB-IHP/7SDB-IHP_decoy_scores.csv |
7S75-8I7 | data/7S/7S75-8I7/7S75-8I7_ligand.pdbqt | data/7S/7S75-8I7/7S75-8I7_target.pdbqt | data/7S/7S75-8I7/7S75-8I7_decoys.pdbqt | data/7S/7S75-8I7/7S75-8I7_decoy_scores.csv |
7SCP-8S6 | data/7S/7SCP-8S6/7SCP-8S6_ligand.pdbqt | data/7S/7SCP-8S6/7SCP-8S6_target.pdbqt | data/7S/7SCP-8S6/7SCP-8S6_decoys.pdbqt | data/7S/7SCP-8S6/7SCP-8S6_decoy_scores.csv |
7SZT-9PD | data/7S/7SZT-9PD/7SZT-9PD_ligand.pdbqt | data/7S/7SZT-9PD/7SZT-9PD_target.pdbqt | data/7S/7SZT-9PD/7SZT-9PD_decoys.pdbqt | data/7S/7SZT-9PD/7SZT-9PD_decoy_scores.csv |
7SUI-L80 | data/7S/7SUI-L80/7SUI-L80_ligand.pdbqt | data/7S/7SUI-L80/7SUI-L80_target.pdbqt | data/7S/7SUI-L80/7SUI-L80_decoys.pdbqt | data/7S/7SUI-L80/7SUI-L80_decoy_scores.csv |
7SQM-A5G | data/7S/7SQM-A5G/7SQM-A5G_ligand.pdbqt | data/7S/7SQM-A5G/7SQM-A5G_target.pdbqt | data/7S/7SQM-A5G/7SQM-A5G_decoys.pdbqt | data/7S/7SQM-A5G/7SQM-A5G_decoy_scores.csv |
7SLS-9PJ | data/7S/7SLS-9PJ/7SLS-9PJ_ligand.pdbqt | data/7S/7SLS-9PJ/7SLS-9PJ_target.pdbqt | data/7S/7SLS-9PJ/7SLS-9PJ_decoys.pdbqt | data/7S/7SLS-9PJ/7SLS-9PJ_decoy_scores.csv |
7S42-87Z | data/7S/7S42-87Z/7S42-87Z_ligand.pdbqt | data/7S/7S42-87Z/7S42-87Z_target.pdbqt | data/7S/7S42-87Z/7S42-87Z_decoys.pdbqt | data/7S/7S42-87Z/7S42-87Z_decoy_scores.csv |
7SLR-9QI | data/7S/7SLR-9QI/7SLR-9QI_ligand.pdbqt | data/7S/7SLR-9QI/7SLR-9QI_target.pdbqt | data/7S/7SLR-9QI/7SLR-9QI_decoys.pdbqt | data/7S/7SLR-9QI/7SLR-9QI_decoy_scores.csv |
7S4B-87H | data/7S/7S4B-87H/7S4B-87H_ligand.pdbqt | data/7S/7S4B-87H/7S4B-87H_target.pdbqt | data/7S/7S4B-87H/7S4B-87H_decoys.pdbqt | data/7S/7S4B-87H/7S4B-87H_decoy_scores.csv |
7S40-V54 | data/7S/7S40-V54/7S40-V54_ligand.pdbqt | data/7S/7S40-V54/7S40-V54_target.pdbqt | data/7S/7S40-V54/7S40-V54_decoys.pdbqt | data/7S/7S40-V54/7S40-V54_decoy_scores.csv |
7S4T-88O | data/7S/7S4T-88O/7S4T-88O_ligand.pdbqt | data/7S/7S4T-88O/7S4T-88O_target.pdbqt | data/7S/7S4T-88O/7S4T-88O_decoys.pdbqt | data/7S/7S4T-88O/7S4T-88O_decoy_scores.csv |
7SZA-FLC | data/7S/7SZA-FLC/7SZA-FLC_ligand.pdbqt | data/7S/7SZA-FLC/7SZA-FLC_target.pdbqt | data/7S/7SZA-FLC/7SZA-FLC_decoys.pdbqt | data/7S/7SZA-FLC/7SZA-FLC_decoy_scores.csv |
7S45-TYD | data/7S/7S45-TYD/7S45-TYD_ligand.pdbqt | data/7S/7S45-TYD/7S45-TYD_target.pdbqt | data/7S/7S45-TYD/7S45-TYD_decoys.pdbqt | data/7S/7S45-TYD/7S45-TYD_decoy_scores.csv |
7SDD-4IP | data/7S/7SDD-4IP/7SDD-4IP_ligand.pdbqt | data/7S/7SDD-4IP/7SDD-4IP_target.pdbqt | data/7S/7SDD-4IP/7SDD-4IP_decoys.pdbqt | data/7S/7SDD-4IP/7SDD-4IP_decoy_scores.csv |
7S4M-D12 | data/7S/7S4M-D12/7S4M-D12_ligand.pdbqt | data/7S/7S4M-D12/7S4M-D12_target.pdbqt | data/7S/7S4M-D12/7S4M-D12_decoys.pdbqt | data/7S/7S4M-D12/7S4M-D12_decoy_scores.csv |
7S40-H4B | data/7S/7S40-H4B/7S40-H4B_ligand.pdbqt | data/7S/7S40-H4B/7S40-H4B_target.pdbqt | data/7S/7S40-H4B/7S40-H4B_decoys.pdbqt | data/7S/7S40-H4B/7S40-H4B_decoy_scores.csv |
7SKX-I3C | data/7S/7SKX-I3C/7SKX-I3C_ligand.pdbqt | data/7S/7SKX-I3C/7SKX-I3C_target.pdbqt | data/7S/7SKX-I3C/7SKX-I3C_decoys.pdbqt | data/7S/7SKX-I3C/7SKX-I3C_decoy_scores.csv |
7SE7-SAM | data/7S/7SE7-SAM/7SE7-SAM_ligand.pdbqt | data/7S/7SE7-SAM/7SE7-SAM_target.pdbqt | data/7S/7SE7-SAM/7SE7-SAM_decoys.pdbqt | data/7S/7SE7-SAM/7SE7-SAM_decoy_scores.csv |
7S5E-AGS | data/7S/7S5E-AGS/7S5E-AGS_ligand.pdbqt | data/7S/7S5E-AGS/7S5E-AGS_target.pdbqt | data/7S/7S5E-AGS/7S5E-AGS_decoys.pdbqt | data/7S/7S5E-AGS/7S5E-AGS_decoy_scores.csv |
7S4K-D10 | data/7S/7S4K-D10/7S4K-D10_ligand.pdbqt | data/7S/7S4K-D10/7S4K-D10_target.pdbqt | data/7S/7S4K-D10/7S4K-D10_decoys.pdbqt | data/7S/7S4K-D10/7S4K-D10_decoy_scores.csv |
7S9H-7PP | data/7S/7S9H-7PP/7S9H-7PP_ligand.pdbqt | data/7S/7S9H-7PP/7S9H-7PP_target.pdbqt | data/7S/7S9H-7PP/7S9H-7PP_decoys.pdbqt | data/7S/7S9H-7PP/7S9H-7PP_decoy_scores.csv |
7S4H-HXG | data/7S/7S4H-HXG/7S4H-HXG_ligand.pdbqt | data/7S/7S4H-HXG/7S4H-HXG_target.pdbqt | data/7S/7S4H-HXG/7S4H-HXG_decoys.pdbqt | data/7S/7S4H-HXG/7S4H-HXG_decoy_scores.csv |
7S3X-88H | data/7S/7S3X-88H/7S3X-88H_ligand.pdbqt | data/7S/7S3X-88H/7S3X-88H_target.pdbqt | data/7S/7S3X-88H/7S3X-88H_decoys.pdbqt | data/7S/7S3X-88H/7S3X-88H_decoy_scores.csv |
7SMV-UED | data/7S/7SMV-UED/7SMV-UED_ligand.pdbqt | data/7S/7SMV-UED/7SMV-UED_target.pdbqt | data/7S/7SMV-UED/7SMV-UED_decoys.pdbqt | data/7S/7SMV-UED/7SMV-UED_decoy_scores.csv |
7S99-N6M | data/7S/7S99-N6M/7S99-N6M_ligand.pdbqt | data/7S/7S99-N6M/7S99-N6M_target.pdbqt | data/7S/7S99-N6M/7S99-N6M_decoys.pdbqt | data/7S/7S99-N6M/7S99-N6M_decoy_scores.csv |
7SNB-AMP | data/7S/7SNB-AMP/7SNB-AMP_ligand.pdbqt | data/7S/7SNB-AMP/7SNB-AMP_target.pdbqt | data/7S/7SNB-AMP/7SNB-AMP_decoys.pdbqt | data/7S/7SNB-AMP/7SNB-AMP_decoy_scores.csv |
7S6V-8II | data/7S/7S6V-8II/7S6V-8II_ligand.pdbqt | data/7S/7S6V-8II/7S6V-8II_target.pdbqt | data/7S/7S6V-8II/7S6V-8II_decoys.pdbqt | data/7S/7S6V-8II/7S6V-8II_decoy_scores.csv |
7SJJ-HC4 | data/7S/7SJJ-HC4/7SJJ-HC4_ligand.pdbqt | data/7S/7SJJ-HC4/7SJJ-HC4_target.pdbqt | data/7S/7SJJ-HC4/7SJJ-HC4_decoys.pdbqt | data/7S/7SJJ-HC4/7SJJ-HC4_decoy_scores.csv |
7S47-ANP | data/7S/7S47-ANP/7S47-ANP_ligand.pdbqt | data/7S/7S47-ANP/7S47-ANP_target.pdbqt | data/7S/7S47-ANP/7S47-ANP_decoys.pdbqt | data/7S/7S47-ANP/7S47-ANP_decoy_scores.csv |
7S6U-FB8 | data/7S/7S6U-FB8/7S6U-FB8_ligand.pdbqt | data/7S/7S6U-FB8/7S6U-FB8_target.pdbqt | data/7S/7S6U-FB8/7S6U-FB8_decoys.pdbqt | data/7S/7S6U-FB8/7S6U-FB8_decoy_scores.csv |
7S5F-CS2 | data/7S/7S5F-CS2/7S5F-CS2_ligand.pdbqt | data/7S/7S5F-CS2/7S5F-CS2_target.pdbqt | data/7S/7S5F-CS2/7S5F-CS2_decoys.pdbqt | data/7S/7S5F-CS2/7S5F-CS2_decoy_scores.csv |
7S4J-PLC | data/7S/7S4J-PLC/7S4J-PLC_ligand.pdbqt | data/7S/7S4J-PLC/7S4J-PLC_target.pdbqt | data/7S/7S4J-PLC/7S4J-PLC_decoys.pdbqt | data/7S/7S4J-PLC/7S4J-PLC_decoy_scores.csv |
7SZE-9SL | data/7S/7SZE-9SL/7SZE-9SL_ligand.pdbqt | data/7S/7SZE-9SL/7SZE-9SL_target.pdbqt | data/7S/7SZE-9SL/7SZE-9SL_decoys.pdbqt | data/7S/7SZE-9SL/7SZE-9SL_decoy_scores.csv |
7SUF-BVI | data/7S/7SUF-BVI/7SUF-BVI_ligand.pdbqt | data/7S/7SUF-BVI/7SUF-BVI_target.pdbqt | data/7S/7SUF-BVI/7SUF-BVI_decoys.pdbqt | data/7S/7SUF-BVI/7SUF-BVI_decoy_scores.csv |
7SFO-98L | data/7S/7SFO-98L/7SFO-98L_ligand.pdbqt | data/7S/7SFO-98L/7SFO-98L_target.pdbqt | data/7S/7SFO-98L/7SFO-98L_decoys.pdbqt | data/7S/7SFO-98L/7SFO-98L_decoy_scores.csv |
7S46-ANP | data/7S/7S46-ANP/7S46-ANP_ligand.pdbqt | data/7S/7S46-ANP/7S46-ANP_target.pdbqt | data/7S/7S46-ANP/7S46-ANP_decoys.pdbqt | data/7S/7S46-ANP/7S46-ANP_decoy_scores.csv |
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