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 ⌀ |
|---|---|---|---|---|
4OSD-ELA | data/4O/4OSD-ELA/4OSD-ELA_ligand.pdbqt | data/4O/4OSD-ELA/4OSD-ELA_target.pdbqt | data/4O/4OSD-ELA/4OSD-ELA_decoys.pdbqt | data/4O/4OSD-ELA/4OSD-ELA_decoy_scores.csv |
4OAS-2SW | data/4O/4OAS-2SW/4OAS-2SW_ligand.pdbqt | data/4O/4OAS-2SW/4OAS-2SW_target.pdbqt | data/4O/4OAS-2SW/4OAS-2SW_decoys.pdbqt | data/4O/4OAS-2SW/4OAS-2SW_decoy_scores.csv |
4OC7-2QO | data/4O/4OC7-2QO/4OC7-2QO_ligand.pdbqt | data/4O/4OC7-2QO/4OC7-2QO_target.pdbqt | data/4O/4OC7-2QO/4OC7-2QO_decoys.pdbqt | data/4O/4OC7-2QO/4OC7-2QO_decoy_scores.csv |
4O04-2Q8 | data/4O/4O04-2Q8/4O04-2Q8_ligand.pdbqt | data/4O/4O04-2Q8/4O04-2Q8_target.pdbqt | data/4O/4O04-2Q8/4O04-2Q8_decoys.pdbqt | data/4O/4O04-2Q8/4O04-2Q8_decoy_scores.csv |
4OTV-ATP | data/4O/4OTV-ATP/4OTV-ATP_ligand.pdbqt | data/4O/4OTV-ATP/4OTV-ATP_target.pdbqt | data/4O/4OTV-ATP/4OTV-ATP_decoys.pdbqt | data/4O/4OTV-ATP/4OTV-ATP_decoy_scores.csv |
4ORK-GDP | data/4O/4ORK-GDP/4ORK-GDP_ligand.pdbqt | data/4O/4ORK-GDP/4ORK-GDP_target.pdbqt | data/4O/4ORK-GDP/4ORK-GDP_decoys.pdbqt | data/4O/4ORK-GDP/4ORK-GDP_decoy_scores.csv |
4ONC-40B | data/4O/4ONC-40B/4ONC-40B_ligand.pdbqt | data/4O/4ONC-40B/4ONC-40B_target.pdbqt | data/4O/4ONC-40B/4ONC-40B_decoys.pdbqt | data/4O/4ONC-40B/4ONC-40B_decoy_scores.csv |
4OOL-2U2 | data/4O/4OOL-2U2/4OOL-2U2_ligand.pdbqt | data/4O/4OOL-2U2/4OOL-2U2_target.pdbqt | data/4O/4OOL-2U2/4OOL-2U2_decoys.pdbqt | data/4O/4OOL-2U2/4OOL-2U2_decoy_scores.csv |
4OP6-AZA | data/4O/4OP6-AZA/4OP6-AZA_ligand.pdbqt | data/4O/4OP6-AZA/4OP6-AZA_target.pdbqt | data/4O/4OP6-AZA/4OP6-AZA_decoys.pdbqt | data/4O/4OP6-AZA/4OP6-AZA_decoy_scores.csv |
4O6R-AMP | data/4O/4O6R-AMP/4O6R-AMP_ligand.pdbqt | data/4O/4O6R-AMP/4O6R-AMP_target.pdbqt | data/4O/4O6R-AMP/4O6R-AMP_decoys.pdbqt | data/4O/4O6R-AMP/4O6R-AMP_decoy_scores.csv |
4OPD-GRG | data/4O/4OPD-GRG/4OPD-GRG_ligand.pdbqt | data/4O/4OPD-GRG/4OPD-GRG_target.pdbqt | data/4O/4OPD-GRG/4OPD-GRG_decoys.pdbqt | data/4O/4OPD-GRG/4OPD-GRG_decoy_scores.csv |
4O4J-GTP | data/4O/4O4J-GTP/4O4J-GTP_ligand.pdbqt | data/4O/4O4J-GTP/4O4J-GTP_target.pdbqt | data/4O/4O4J-GTP/4O4J-GTP_decoys.pdbqt | data/4O/4O4J-GTP/4O4J-GTP_decoy_scores.csv |
4O9S-2RY | data/4O/4O9S-2RY/4O9S-2RY_ligand.pdbqt | data/4O/4O9S-2RY/4O9S-2RY_target.pdbqt | data/4O/4O9S-2RY/4O9S-2RY_decoys.pdbqt | data/4O/4O9S-2RY/4O9S-2RY_decoy_scores.csv |
4ODO-BTB | data/4O/4ODO-BTB/4ODO-BTB_ligand.pdbqt | data/4O/4ODO-BTB/4ODO-BTB_target.pdbqt | data/4O/4ODO-BTB/4ODO-BTB_decoys.pdbqt | data/4O/4ODO-BTB/4ODO-BTB_decoy_scores.csv |
4O86-CDP | data/4O/4O86-CDP/4O86-CDP_ligand.pdbqt | data/4O/4O86-CDP/4O86-CDP_target.pdbqt | data/4O/4O86-CDP/4O86-CDP_decoys.pdbqt | data/4O/4O86-CDP/4O86-CDP_decoy_scores.csv |
4O7T-ADP | data/4O/4O7T-ADP/4O7T-ADP_ligand.pdbqt | data/4O/4O7T-ADP/4O7T-ADP_target.pdbqt | data/4O/4O7T-ADP/4O7T-ADP_decoys.pdbqt | data/4O/4O7T-ADP/4O7T-ADP_decoy_scores.csv |
4OPG-GRG | data/4O/4OPG-GRG/4OPG-GRG_ligand.pdbqt | data/4O/4OPG-GRG/4OPG-GRG_target.pdbqt | data/4O/4OPG-GRG/4OPG-GRG_decoys.pdbqt | data/4O/4OPG-GRG/4OPG-GRG_decoy_scores.csv |
4OWV-BE2 | data/4O/4OWV-BE2/4OWV-BE2_ligand.pdbqt | data/4O/4OWV-BE2/4OWV-BE2_target.pdbqt | data/4O/4OWV-BE2/4OWV-BE2_decoys.pdbqt | data/4O/4OWV-BE2/4OWV-BE2_decoy_scores.csv |
4OZ3-1Z8 | data/4O/4OZ3-1Z8/4OZ3-1Z8_ligand.pdbqt | data/4O/4OZ3-1Z8/4OZ3-1Z8_target.pdbqt | data/4O/4OZ3-1Z8/4OZ3-1Z8_decoys.pdbqt | data/4O/4OZ3-1Z8/4OZ3-1Z8_decoy_scores.csv |
4OT2-NPS | data/4O/4OT2-NPS/4OT2-NPS_ligand.pdbqt | data/4O/4OT2-NPS/4OT2-NPS_target.pdbqt | data/4O/4OT2-NPS/4OT2-NPS_decoys.pdbqt | data/4O/4OT2-NPS/4OT2-NPS_decoy_scores.csv |
4O8O-AHR | data/4O/4O8O-AHR/4O8O-AHR_ligand.pdbqt | data/4O/4O8O-AHR/4O8O-AHR_target.pdbqt | data/4O/4O8O-AHR/4O8O-AHR_decoys.pdbqt | data/4O/4O8O-AHR/4O8O-AHR_decoy_scores.csv |
4O16-1XC | data/4O/4O16-1XC/4O16-1XC_ligand.pdbqt | data/4O/4O16-1XC/4O16-1XC_target.pdbqt | data/4O/4O16-1XC/4O16-1XC_decoys.pdbqt | data/4O/4O16-1XC/4O16-1XC_decoy_scores.csv |
4OEY-DHT | data/4O/4OEY-DHT/4OEY-DHT_ligand.pdbqt | data/4O/4OEY-DHT/4OEY-DHT_target.pdbqt | data/4O/4OEY-DHT/4OEY-DHT_decoys.pdbqt | data/4O/4OEY-DHT/4OEY-DHT_decoy_scores.csv |
4OAE-CLM | data/4O/4OAE-CLM/4OAE-CLM_ligand.pdbqt | data/4O/4OAE-CLM/4OAE-CLM_target.pdbqt | data/4O/4OAE-CLM/4OAE-CLM_decoys.pdbqt | data/4O/4OAE-CLM/4OAE-CLM_decoy_scores.csv |
4O9E-4TD | data/4O/4O9E-4TD/4O9E-4TD_ligand.pdbqt | data/4O/4O9E-4TD/4O9E-4TD_target.pdbqt | data/4O/4O9E-4TD/4O9E-4TD_decoys.pdbqt | data/4O/4O9E-4TD/4O9E-4TD_decoy_scores.csv |
4OQQ-BCN | data/4O/4OQQ-BCN/4OQQ-BCN_ligand.pdbqt | data/4O/4OQQ-BCN/4OQQ-BCN_target.pdbqt | data/4O/4OQQ-BCN/4OQQ-BCN_decoys.pdbqt | data/4O/4OQQ-BCN/4OQQ-BCN_decoy_scores.csv |
4OOE-FOM | data/4O/4OOE-FOM/4OOE-FOM_ligand.pdbqt | data/4O/4OOE-FOM/4OOE-FOM_target.pdbqt | data/4O/4OOE-FOM/4OOE-FOM_decoys.pdbqt | data/4O/4OOE-FOM/4OOE-FOM_decoy_scores.csv |
4OUC-5ID | data/4O/4OUC-5ID/4OUC-5ID_ligand.pdbqt | data/4O/4OUC-5ID/4OUC-5ID_target.pdbqt | data/4O/4OUC-5ID/4OUC-5ID_decoys.pdbqt | data/4O/4OUC-5ID/4OUC-5ID_decoy_scores.csv |
4O6L-2QK | data/4O/4O6L-2QK/4O6L-2QK_ligand.pdbqt | data/4O/4O6L-2QK/4O6L-2QK_target.pdbqt | data/4O/4O6L-2QK/4O6L-2QK_decoys.pdbqt | data/4O/4O6L-2QK/4O6L-2QK_decoy_scores.csv |
4OHU-NAD | data/4O/4OHU-NAD/4OHU-NAD_ligand.pdbqt | data/4O/4OHU-NAD/4OHU-NAD_target.pdbqt | data/4O/4OHU-NAD/4OHU-NAD_decoys.pdbqt | data/4O/4OHU-NAD/4OHU-NAD_decoy_scores.csv |
4O21-ADP | data/4O/4O21-ADP/4O21-ADP_ligand.pdbqt | data/4O/4O21-ADP/4O21-ADP_target.pdbqt | data/4O/4O21-ADP/4O21-ADP_decoys.pdbqt | data/4O/4O21-ADP/4O21-ADP_decoy_scores.csv |
4O7A-2RF | data/4O/4O7A-2RF/4O7A-2RF_ligand.pdbqt | data/4O/4O7A-2RF/4O7A-2RF_target.pdbqt | data/4O/4O7A-2RF/4O7A-2RF_decoys.pdbqt | data/4O/4O7A-2RF/4O7A-2RF_decoy_scores.csv |
4OBW-SAM | data/4O/4OBW-SAM/4OBW-SAM_ligand.pdbqt | data/4O/4OBW-SAM/4OBW-SAM_target.pdbqt | data/4O/4OBW-SAM/4OBW-SAM_decoys.pdbqt | data/4O/4OBW-SAM/4OBW-SAM_decoy_scores.csv |
4O3F-TZN | data/4O/4O3F-TZN/4O3F-TZN_ligand.pdbqt | data/4O/4O3F-TZN/4O3F-TZN_target.pdbqt | data/4O/4O3F-TZN/4O3F-TZN_decoys.pdbqt | data/4O/4O3F-TZN/4O3F-TZN_decoy_scores.csv |
4OLH-S6P | data/4O/4OLH-S6P/4OLH-S6P_ligand.pdbqt | data/4O/4OLH-S6P/4OLH-S6P_target.pdbqt | data/4O/4OLH-S6P/4OLH-S6P_decoys.pdbqt | data/4O/4OLH-S6P/4OLH-S6P_decoy_scores.csv |
4OGI-R78 | data/4O/4OGI-R78/4OGI-R78_ligand.pdbqt | data/4O/4OGI-R78/4OGI-R78_target.pdbqt | data/4O/4OGI-R78/4OGI-R78_decoys.pdbqt | data/4O/4OGI-R78/4OGI-R78_decoy_scores.csv |
4OHX-ADP | data/4O/4OHX-ADP/4OHX-ADP_ligand.pdbqt | data/4O/4OHX-ADP/4OHX-ADP_target.pdbqt | data/4O/4OHX-ADP/4OHX-ADP_decoys.pdbqt | data/4O/4OHX-ADP/4OHX-ADP_decoy_scores.csv |
4OYX-APC | data/4O/4OYX-APC/4OYX-APC_ligand.pdbqt | data/4O/4OYX-APC/4OYX-APC_target.pdbqt | data/4O/4OYX-APC/4OYX-APC_decoys.pdbqt | data/4O/4OYX-APC/4OYX-APC_decoy_scores.csv |
4O7V-UDP | data/4O/4O7V-UDP/4O7V-UDP_ligand.pdbqt | data/4O/4O7V-UDP/4O7V-UDP_target.pdbqt | data/4O/4O7V-UDP/4O7V-UDP_decoys.pdbqt | data/4O/4O7V-UDP/4O7V-UDP_decoy_scores.csv |
4O4L-GTP | data/4O/4O4L-GTP/4O4L-GTP_ligand.pdbqt | data/4O/4O4L-GTP/4O4L-GTP_target.pdbqt | data/4O/4O4L-GTP/4O4L-GTP_decoys.pdbqt | data/4O/4O4L-GTP/4O4L-GTP_decoy_scores.csv |
4OU4-S2T | data/4O/4OU4-S2T/4OU4-S2T_ligand.pdbqt | data/4O/4OU4-S2T/4OU4-S2T_target.pdbqt | data/4O/4OU4-S2T/4OU4-S2T_decoys.pdbqt | data/4O/4OU4-S2T/4OU4-S2T_decoy_scores.csv |
4OHW-ATP | data/4O/4OHW-ATP/4OHW-ATP_ligand.pdbqt | data/4O/4OHW-ATP/4OHW-ATP_target.pdbqt | data/4O/4OHW-ATP/4OHW-ATP_decoys.pdbqt | data/4O/4OHW-ATP/4OHW-ATP_decoy_scores.csv |
4ORV-XXC | data/4O/4ORV-XXC/4ORV-XXC_ligand.pdbqt | data/4O/4ORV-XXC/4ORV-XXC_target.pdbqt | data/4O/4ORV-XXC/4ORV-XXC_decoys.pdbqt | data/4O/4ORV-XXC/4ORV-XXC_decoy_scores.csv |
4O95-245 | data/4O/4O95-245/4O95-245_ligand.pdbqt | data/4O/4O95-245/4O95-245_target.pdbqt | data/4O/4O95-245/4O95-245_decoys.pdbqt | data/4O/4O95-245/4O95-245_decoy_scores.csv |
4O10-2QF | data/4O/4O10-2QF/4O10-2QF_ligand.pdbqt | data/4O/4O10-2QF/4O10-2QF_target.pdbqt | data/4O/4O10-2QF/4O10-2QF_decoys.pdbqt | data/4O/4O10-2QF/4O10-2QF_decoy_scores.csv |
4O2P-11V | data/4O/4O2P-11V/4O2P-11V_ligand.pdbqt | data/4O/4O2P-11V/4O2P-11V_target.pdbqt | data/4O/4O2P-11V/4O2P-11V_decoys.pdbqt | data/4O/4O2P-11V/4O2P-11V_decoy_scores.csv |
4OE7-GXP | data/4O/4OE7-GXP/4OE7-GXP_ligand.pdbqt | data/4O/4OE7-GXP/4OE7-GXP_target.pdbqt | data/4O/4OE7-GXP/4OE7-GXP_decoys.pdbqt | data/4O/4OE7-GXP/4OE7-GXP_decoy_scores.csv |
4O7W-TYD | data/4O/4O7W-TYD/4O7W-TYD_ligand.pdbqt | data/4O/4O7W-TYD/4O7W-TYD_target.pdbqt | data/4O/4O7W-TYD/4O7W-TYD_decoys.pdbqt | data/4O/4O7W-TYD/4O7W-TYD_decoy_scores.csv |
4O4I-LLM | data/4O/4O4I-LLM/4O4I-LLM_ligand.pdbqt | data/4O/4O4I-LLM/4O4I-LLM_target.pdbqt | data/4O/4O4I-LLM/4O4I-LLM_decoys.pdbqt | data/4O/4O4I-LLM/4O4I-LLM_decoy_scores.csv |
4OHM-S6P | data/4O/4OHM-S6P/4OHM-S6P_ligand.pdbqt | data/4O/4OHM-S6P/4OHM-S6P_target.pdbqt | data/4O/4OHM-S6P/4OHM-S6P_decoys.pdbqt | data/4O/4OHM-S6P/4OHM-S6P_decoy_scores.csv |
4O8N-BTB | data/4O/4O8N-BTB/4O8N-BTB_ligand.pdbqt | data/4O/4O8N-BTB/4O8N-BTB_target.pdbqt | data/4O/4O8N-BTB/4O8N-BTB_decoys.pdbqt | data/4O/4O8N-BTB/4O8N-BTB_decoy_scores.csv |
4OBC-PG6 | data/4O/4OBC-PG6/4OBC-PG6_ligand.pdbqt | data/4O/4OBC-PG6/4OBC-PG6_target.pdbqt | data/4O/4OBC-PG6/4OBC-PG6_decoys.pdbqt | data/4O/4OBC-PG6/4OBC-PG6_decoy_scores.csv |
4OMW-TE4 | data/4O/4OMW-TE4/4OMW-TE4_ligand.pdbqt | data/4O/4OMW-TE4/4OMW-TE4_target.pdbqt | data/4O/4OMW-TE4/4OMW-TE4_decoys.pdbqt | data/4O/4OMW-TE4/4OMW-TE4_decoy_scores.csv |
4OG8-2SF | data/4O/4OG8-2SF/4OG8-2SF_ligand.pdbqt | data/4O/4OG8-2SF/4OG8-2SF_target.pdbqt | data/4O/4OG8-2SF/4OG8-2SF_decoys.pdbqt | data/4O/4OG8-2SF/4OG8-2SF_decoy_scores.csv |
4OP1-S6P | data/4O/4OP1-S6P/4OP1-S6P_ligand.pdbqt | data/4O/4OP1-S6P/4OP1-S6P_target.pdbqt | data/4O/4OP1-S6P/4OP1-S6P_decoys.pdbqt | data/4O/4OP1-S6P/4OP1-S6P_decoy_scores.csv |
4O8M-2Q2 | data/4O/4O8M-2Q2/4O8M-2Q2_ligand.pdbqt | data/4O/4O8M-2Q2/4O8M-2Q2_target.pdbqt | data/4O/4O8M-2Q2/4O8M-2Q2_decoys.pdbqt | data/4O/4O8M-2Q2/4O8M-2Q2_decoy_scores.csv |
4OWQ-PRP | data/4O/4OWQ-PRP/4OWQ-PRP_ligand.pdbqt | data/4O/4OWQ-PRP/4OWQ-PRP_target.pdbqt | data/4O/4OWQ-PRP/4OWQ-PRP_decoys.pdbqt | data/4O/4OWQ-PRP/4OWQ-PRP_decoy_scores.csv |
4O0A-2P9 | data/4O/4O0A-2P9/4O0A-2P9_ligand.pdbqt | data/4O/4O0A-2P9/4O0A-2P9_target.pdbqt | data/4O/4O0A-2P9/4O0A-2P9_decoys.pdbqt | data/4O/4O0A-2P9/4O0A-2P9_decoy_scores.csv |
4O8E-UTP | data/4O/4O8E-UTP/4O8E-UTP_ligand.pdbqt | data/4O/4O8E-UTP/4O8E-UTP_target.pdbqt | data/4O/4O8E-UTP/4O8E-UTP_decoys.pdbqt | data/4O/4O8E-UTP/4O8E-UTP_decoy_scores.csv |
4OXY-1TN | data/4O/4OXY-1TN/4OXY-1TN_ligand.pdbqt | data/4O/4OXY-1TN/4OXY-1TN_target.pdbqt | data/4O/4OXY-1TN/4OXY-1TN_decoys.pdbqt | data/4O/4OXY-1TN/4OXY-1TN_decoy_scores.csv |
4OQD-SAH | data/4O/4OQD-SAH/4OQD-SAH_ligand.pdbqt | data/4O/4OQD-SAH/4OQD-SAH_target.pdbqt | data/4O/4OQD-SAH/4OQD-SAH_decoys.pdbqt | data/4O/4OQD-SAH/4OQD-SAH_decoy_scores.csv |
4O09-2R6 | data/4O/4O09-2R6/4O09-2R6_ligand.pdbqt | data/4O/4O09-2R6/4O09-2R6_target.pdbqt | data/4O/4O09-2R6/4O09-2R6_decoys.pdbqt | data/4O/4O09-2R6/4O09-2R6_decoy_scores.csv |
4OK1-198 | data/4O/4OK1-198/4OK1-198_ligand.pdbqt | data/4O/4OK1-198/4OK1-198_target.pdbqt | data/4O/4OK1-198/4OK1-198_decoys.pdbqt | data/4O/4OK1-198/4OK1-198_decoy_scores.csv |
4ONA-UW1 | data/4O/4ONA-UW1/4ONA-UW1_ligand.pdbqt | data/4O/4ONA-UW1/4ONA-UW1_target.pdbqt | data/4O/4ONA-UW1/4ONA-UW1_decoys.pdbqt | data/4O/4ONA-UW1/4ONA-UW1_decoy_scores.csv |
4O9V-NT4 | data/4O/4O9V-NT4/4O9V-NT4_ligand.pdbqt | data/4O/4O9V-NT4/4O9V-NT4_target.pdbqt | data/4O/4O9V-NT4/4O9V-NT4_decoys.pdbqt | data/4O/4O9V-NT4/4O9V-NT4_decoy_scores.csv |
4OXN-NAD | data/4O/4OXN-NAD/4OXN-NAD_ligand.pdbqt | data/4O/4OXN-NAD/4OXN-NAD_target.pdbqt | data/4O/4OXN-NAD/4OXN-NAD_decoys.pdbqt | data/4O/4OXN-NAD/4OXN-NAD_decoy_scores.csv |
4OIC-A8S | data/4O/4OIC-A8S/4OIC-A8S_ligand.pdbqt | data/4O/4OIC-A8S/4OIC-A8S_target.pdbqt | data/4O/4OIC-A8S/4OIC-A8S_decoys.pdbqt | data/4O/4OIC-A8S/4OIC-A8S_decoy_scores.csv |
4O4J-POU | data/4O/4O4J-POU/4O4J-POU_ligand.pdbqt | data/4O/4O4J-POU/4O4J-POU_target.pdbqt | data/4O/4O4J-POU/4O4J-POU_decoys.pdbqt | data/4O/4O4J-POU/4O4J-POU_decoy_scores.csv |
4O4I-ACP | data/4O/4O4I-ACP/4O4I-ACP_ligand.pdbqt | data/4O/4O4I-ACP/4O4I-ACP_target.pdbqt | data/4O/4O4I-ACP/4O4I-ACP_decoys.pdbqt | data/4O/4O4I-ACP/4O4I-ACP_decoy_scores.csv |
4OH4-ANP | data/4O/4OH4-ANP/4OH4-ANP_ligand.pdbqt | data/4O/4OH4-ANP/4OH4-ANP_target.pdbqt | data/4O/4OH4-ANP/4OH4-ANP_decoys.pdbqt | data/4O/4OH4-ANP/4OH4-ANP_decoy_scores.csv |
4O7F-2RQ | data/4O/4O7F-2RQ/4O7F-2RQ_ligand.pdbqt | data/4O/4O7F-2RQ/4O7F-2RQ_target.pdbqt | data/4O/4O7F-2RQ/4O7F-2RQ_decoys.pdbqt | data/4O/4O7F-2RQ/4O7F-2RQ_decoy_scores.csv |
4O75-2RC | data/4O/4O75-2RC/4O75-2RC_ligand.pdbqt | data/4O/4O75-2RC/4O75-2RC_target.pdbqt | data/4O/4O75-2RC/4O75-2RC_decoys.pdbqt | data/4O/4O75-2RC/4O75-2RC_decoy_scores.csv |
4O4Q-UDP | data/4O/4O4Q-UDP/4O4Q-UDP_ligand.pdbqt | data/4O/4O4Q-UDP/4O4Q-UDP_target.pdbqt | data/4O/4O4Q-UDP/4O4Q-UDP_decoys.pdbqt | data/4O/4O4Q-UDP/4O4Q-UDP_decoy_scores.csv |
4O1Y-NLA | data/4O/4O1Y-NLA/4O1Y-NLA_ligand.pdbqt | data/4O/4O1Y-NLA/4O1Y-NLA_target.pdbqt | data/4O/4O1Y-NLA/4O1Y-NLA_decoys.pdbqt | data/4O/4O1Y-NLA/4O1Y-NLA_decoy_scores.csv |
4OOM-2U3 | data/4O/4OOM-2U3/4OOM-2U3_ligand.pdbqt | data/4O/4OOM-2U3/4OOM-2U3_target.pdbqt | data/4O/4OOM-2U3/4OOM-2U3_decoys.pdbqt | data/4O/4OOM-2U3/4OOM-2U3_decoy_scores.csv |
4O4L-POU | data/4O/4O4L-POU/4O4L-POU_ligand.pdbqt | data/4O/4O4L-POU/4O4L-POU_target.pdbqt | data/4O/4O4L-POU/4O4L-POU_decoys.pdbqt | data/4O/4O4L-POU/4O4L-POU_decoy_scores.csv |
4OP0-BT5 | data/4O/4OP0-BT5/4OP0-BT5_ligand.pdbqt | data/4O/4OP0-BT5/4OP0-BT5_target.pdbqt | data/4O/4OP0-BT5/4OP0-BT5_decoys.pdbqt | data/4O/4OP0-BT5/4OP0-BT5_decoy_scores.csv |
4OKX-198 | data/4O/4OKX-198/4OKX-198_ligand.pdbqt | data/4O/4OKX-198/4OKX-198_target.pdbqt | data/4O/4OKX-198/4OKX-198_decoys.pdbqt | data/4O/4OKX-198/4OKX-198_decoy_scores.csv |
4OU2-NAD | data/4O/4OU2-NAD/4OU2-NAD_ligand.pdbqt | data/4O/4OU2-NAD/4OU2-NAD_target.pdbqt | data/4O/4OU2-NAD/4OU2-NAD_decoys.pdbqt | data/4O/4OU2-NAD/4OU2-NAD_decoy_scores.csv |
4O4L-GDP | data/4O/4O4L-GDP/4O4L-GDP_ligand.pdbqt | data/4O/4O4L-GDP/4O4L-GDP_target.pdbqt | data/4O/4O4L-GDP/4O4L-GDP_decoys.pdbqt | data/4O/4O4L-GDP/4O4L-GDP_decoy_scores.csv |
4O4H-GTP | data/4O/4O4H-GTP/4O4H-GTP_ligand.pdbqt | data/4O/4O4H-GTP/4O4H-GTP_target.pdbqt | data/4O/4O4H-GTP/4O4H-GTP_decoys.pdbqt | data/4O/4O4H-GTP/4O4H-GTP_decoy_scores.csv |
4OCK-NDG | data/4O/4OCK-NDG/4OCK-NDG_ligand.pdbqt | data/4O/4OCK-NDG/4OCK-NDG_target.pdbqt | data/4O/4OCK-NDG/4OCK-NDG_decoys.pdbqt | data/4O/4OCK-NDG/4OCK-NDG_decoy_scores.csv |
4O82-AMP | data/4O/4O82-AMP/4O82-AMP_ligand.pdbqt | data/4O/4O82-AMP/4O82-AMP_target.pdbqt | data/4O/4O82-AMP/4O82-AMP_decoys.pdbqt | data/4O/4O82-AMP/4O82-AMP_decoy_scores.csv |
4OCO-GN1 | data/4O/4OCO-GN1/4OCO-GN1_ligand.pdbqt | data/4O/4OCO-GN1/4OCO-GN1_target.pdbqt | data/4O/4OCO-GN1/4OCO-GN1_decoys.pdbqt | data/4O/4OCO-GN1/4OCO-GN1_decoy_scores.csv |
4OJX-5GP | data/4O/4OJX-5GP/4OJX-5GP_ligand.pdbqt | data/4O/4OJX-5GP/4OJX-5GP_target.pdbqt | data/4O/4OJX-5GP/4OJX-5GP_decoys.pdbqt | data/4O/4OJX-5GP/4OJX-5GP_decoy_scores.csv |
4OJB-198 | data/4O/4OJB-198/4OJB-198_ligand.pdbqt | data/4O/4OJB-198/4OJB-198_target.pdbqt | data/4O/4OJB-198/4OJB-198_decoys.pdbqt | data/4O/4OJB-198/4OJB-198_decoy_scores.csv |
4O4J-GDP | data/4O/4O4J-GDP/4O4J-GDP_ligand.pdbqt | data/4O/4O4J-GDP/4O4J-GDP_target.pdbqt | data/4O/4O4J-GDP/4O4J-GDP_decoys.pdbqt | data/4O/4O4J-GDP/4O4J-GDP_decoy_scores.csv |
4O0J-LF8 | data/4O/4O0J-LF8/4O0J-LF8_ligand.pdbqt | data/4O/4O0J-LF8/4O0J-LF8_target.pdbqt | null | null |
4OT6-2V1 | data/4O/4OT6-2V1/4OT6-2V1_ligand.pdbqt | data/4O/4OT6-2V1/4OT6-2V1_target.pdbqt | data/4O/4OT6-2V1/4OT6-2V1_decoys.pdbqt | data/4O/4OT6-2V1/4OT6-2V1_decoy_scores.csv |
4OCU-NDG | data/4O/4OCU-NDG/4OCU-NDG_ligand.pdbqt | data/4O/4OCU-NDG/4OCU-NDG_target.pdbqt | data/4O/4OCU-NDG/4OCU-NDG_decoys.pdbqt | data/4O/4OCU-NDG/4OCU-NDG_decoy_scores.csv |
4O7T-TMP | data/4O/4O7T-TMP/4O7T-TMP_ligand.pdbqt | data/4O/4O7T-TMP/4O7T-TMP_target.pdbqt | data/4O/4O7T-TMP/4O7T-TMP_decoys.pdbqt | data/4O/4O7T-TMP/4O7T-TMP_decoy_scores.csv |
4OGT-2U6 | data/4O/4OGT-2U6/4OGT-2U6_ligand.pdbqt | data/4O/4OGT-2U6/4OGT-2U6_target.pdbqt | data/4O/4OGT-2U6/4OGT-2U6_decoys.pdbqt | data/4O/4OGT-2U6/4OGT-2U6_decoy_scores.csv |
4OCQ-A2G | data/4O/4OCQ-A2G/4OCQ-A2G_ligand.pdbqt | data/4O/4OCQ-A2G/4OCQ-A2G_target.pdbqt | data/4O/4OCQ-A2G/4OCQ-A2G_decoys.pdbqt | data/4O/4OCQ-A2G/4OCQ-A2G_decoy_scores.csv |
4OOP-DUP | data/4O/4OOP-DUP/4OOP-DUP_ligand.pdbqt | data/4O/4OOP-DUP/4OOP-DUP_target.pdbqt | data/4O/4OOP-DUP/4OOP-DUP_decoys.pdbqt | data/4O/4OOP-DUP/4OOP-DUP_decoy_scores.csv |
4OJ4-DIF | data/4O/4OJ4-DIF/4OJ4-DIF_ligand.pdbqt | data/4O/4OJ4-DIF/4OJ4-DIF_target.pdbqt | data/4O/4OJ4-DIF/4OJ4-DIF_decoys.pdbqt | data/4O/4OJ4-DIF/4OJ4-DIF_decoy_scores.csv |
4O77-2RE | data/4O/4O77-2RE/4O77-2RE_ligand.pdbqt | data/4O/4O77-2RE/4O77-2RE_target.pdbqt | data/4O/4O77-2RE/4O77-2RE_decoys.pdbqt | data/4O/4O77-2RE/4O77-2RE_decoy_scores.csv |
4O84-5GP | data/4O/4O84-5GP/4O84-5GP_ligand.pdbqt | data/4O/4O84-5GP/4O84-5GP_target.pdbqt | data/4O/4O84-5GP/4O84-5GP_decoys.pdbqt | data/4O/4O84-5GP/4O84-5GP_decoy_scores.csv |
4OJL-BGC | data/4O/4OJL-BGC/4OJL-BGC_ligand.pdbqt | data/4O/4OJL-BGC/4OJL-BGC_target.pdbqt | data/4O/4OJL-BGC/4OJL-BGC_decoys.pdbqt | data/4O/4OJL-BGC/4OJL-BGC_decoy_scores.csv |
4OAD-CLM | data/4O/4OAD-CLM/4OAD-CLM_ligand.pdbqt | data/4O/4OAD-CLM/4OAD-CLM_target.pdbqt | data/4O/4OAD-CLM/4OAD-CLM_decoys.pdbqt | data/4O/4OAD-CLM/4OAD-CLM_decoy_scores.csv |
4OJM-TYR | data/4O/4OJM-TYR/4OJM-TYR_ligand.pdbqt | data/4O/4OJM-TYR/4OJM-TYR_target.pdbqt | data/4O/4OJM-TYR/4OJM-TYR_decoys.pdbqt | data/4O/4OJM-TYR/4OJM-TYR_decoy_scores.csv |
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