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 ⌀ |
|---|---|---|---|---|
3GU7-ADP | data/3G/3GU7-ADP/3GU7-ADP_ligand.pdbqt | data/3G/3GU7-ADP/3GU7-ADP_target.pdbqt | data/3G/3GU7-ADP/3GU7-ADP_decoys.pdbqt | data/3G/3GU7-ADP/3GU7-ADP_decoy_scores.csv |
3GKN-BIH | data/3G/3GKN-BIH/3GKN-BIH_ligand.pdbqt | data/3G/3GKN-BIH/3GKN-BIH_target.pdbqt | data/3G/3GKN-BIH/3GKN-BIH_decoys.pdbqt | data/3G/3GKN-BIH/3GKN-BIH_decoy_scores.csv |
3GUC-ANP | data/3G/3GUC-ANP/3GUC-ANP_ligand.pdbqt | data/3G/3GUC-ANP/3GUC-ANP_target.pdbqt | data/3G/3GUC-ANP/3GUC-ANP_decoys.pdbqt | data/3G/3GUC-ANP/3GUC-ANP_decoy_scores.csv |
3GP5-PG6 | data/3G/3GP5-PG6/3GP5-PG6_ligand.pdbqt | data/3G/3GP5-PG6/3GP5-PG6_target.pdbqt | null | null |
3G34-1CE | data/3G/3G34-1CE/3G34-1CE_ligand.pdbqt | data/3G/3G34-1CE/3G34-1CE_target.pdbqt | data/3G/3G34-1CE/3G34-1CE_decoys.pdbqt | data/3G/3G34-1CE/3G34-1CE_decoy_scores.csv |
3G58-988 | data/3G/3G58-988/3G58-988_ligand.pdbqt | data/3G/3G58-988/3G58-988_target.pdbqt | data/3G/3G58-988/3G58-988_decoys.pdbqt | data/3G/3G58-988/3G58-988_decoy_scores.csv |
3GUS-N11 | data/3G/3GUS-N11/3GUS-N11_ligand.pdbqt | data/3G/3GUS-N11/3GUS-N11_target.pdbqt | data/3G/3GUS-N11/3GUS-N11_decoys.pdbqt | data/3G/3GUS-N11/3GUS-N11_decoy_scores.csv |
3GJR-DZE | data/3G/3GJR-DZE/3GJR-DZE_ligand.pdbqt | data/3G/3GJR-DZE/3GJR-DZE_target.pdbqt | data/3G/3GJR-DZE/3GJR-DZE_decoys.pdbqt | data/3G/3GJR-DZE/3GJR-DZE_decoy_scores.csv |
3GX0-GDS | data/3G/3GX0-GDS/3GX0-GDS_ligand.pdbqt | data/3G/3GX0-GDS/3GX0-GDS_target.pdbqt | data/3G/3GX0-GDS/3GX0-GDS_decoys.pdbqt | data/3G/3GX0-GDS/3GX0-GDS_decoy_scores.csv |
3GSP-3GP | data/3G/3GSP-3GP/3GSP-3GP_ligand.pdbqt | data/3G/3GSP-3GP/3GSP-3GP_target.pdbqt | data/3G/3GSP-3GP/3GSP-3GP_decoys.pdbqt | data/3G/3GSP-3GP/3GSP-3GP_decoy_scores.csv |
3G1D-U | data/3G/3G1D-U/3G1D-U_ligand.pdbqt | data/3G/3G1D-U/3G1D-U_target.pdbqt | data/3G/3G1D-U/3G1D-U_decoys.pdbqt | data/3G/3G1D-U/3G1D-U_decoy_scores.csv |
3GFB-NAD | data/3G/3GFB-NAD/3GFB-NAD_ligand.pdbqt | data/3G/3GFB-NAD/3GFB-NAD_target.pdbqt | data/3G/3GFB-NAD/3GFB-NAD_decoys.pdbqt | data/3G/3GFB-NAD/3GFB-NAD_decoy_scores.csv |
3GAH-ATP | data/3G/3GAH-ATP/3GAH-ATP_ligand.pdbqt | data/3G/3GAH-ATP/3GAH-ATP_target.pdbqt | data/3G/3GAH-ATP/3GAH-ATP_decoys.pdbqt | data/3G/3GAH-ATP/3GAH-ATP_decoy_scores.csv |
3GVU-STI | data/3G/3GVU-STI/3GVU-STI_ligand.pdbqt | data/3G/3GVU-STI/3GVU-STI_target.pdbqt | data/3G/3GVU-STI/3GVU-STI_decoys.pdbqt | data/3G/3GVU-STI/3GVU-STI_decoy_scores.csv |
3G4L-ROF | data/3G/3G4L-ROF/3G4L-ROF_ligand.pdbqt | data/3G/3G4L-ROF/3G4L-ROF_target.pdbqt | data/3G/3G4L-ROF/3G4L-ROF_decoys.pdbqt | data/3G/3G4L-ROF/3G4L-ROF_decoy_scores.csv |
3GDH-MGP | data/3G/3GDH-MGP/3GDH-MGP_ligand.pdbqt | data/3G/3GDH-MGP/3GDH-MGP_target.pdbqt | data/3G/3GDH-MGP/3GDH-MGP_decoys.pdbqt | data/3G/3GDH-MGP/3GDH-MGP_decoy_scores.csv |
3G3G-GLU | data/3G/3G3G-GLU/3G3G-GLU_ligand.pdbqt | data/3G/3G3G-GLU/3G3G-GLU_target.pdbqt | data/3G/3G3G-GLU/3G3G-GLU_decoys.pdbqt | data/3G/3G3G-GLU/3G3G-GLU_decoy_scores.csv |
3GAC-ENO | data/3G/3GAC-ENO/3GAC-ENO_ligand.pdbqt | data/3G/3GAC-ENO/3GAC-ENO_target.pdbqt | data/3G/3GAC-ENO/3GAC-ENO_decoys.pdbqt | data/3G/3GAC-ENO/3GAC-ENO_decoy_scores.csv |
3GGU-017 | data/3G/3GGU-017/3GGU-017_ligand.pdbqt | data/3G/3GGU-017/3GGU-017_target.pdbqt | data/3G/3GGU-017/3GGU-017_decoys.pdbqt | data/3G/3GGU-017/3GGU-017_decoy_scores.csv |
3GDH-SAH | data/3G/3GDH-SAH/3GDH-SAH_ligand.pdbqt | data/3G/3GDH-SAH/3GDH-SAH_target.pdbqt | data/3G/3GDH-SAH/3GDH-SAH_decoys.pdbqt | data/3G/3GDH-SAH/3GDH-SAH_decoy_scores.csv |
3GGP-HPP | data/3G/3GGP-HPP/3GGP-HPP_ligand.pdbqt | data/3G/3GGP-HPP/3GGP-HPP_target.pdbqt | data/3G/3GGP-HPP/3GGP-HPP_decoys.pdbqt | data/3G/3GGP-HPP/3GGP-HPP_decoy_scores.csv |
3GI3-B10 | data/3G/3GI3-B10/3GI3-B10_ligand.pdbqt | data/3G/3GI3-B10/3GI3-B10_target.pdbqt | data/3G/3GI3-B10/3GI3-B10_decoys.pdbqt | data/3G/3GI3-B10/3GI3-B10_decoy_scores.csv |
3G2H-IMP | data/3G/3G2H-IMP/3G2H-IMP_ligand.pdbqt | data/3G/3G2H-IMP/3G2H-IMP_target.pdbqt | data/3G/3G2H-IMP/3G2H-IMP_decoys.pdbqt | data/3G/3G2H-IMP/3G2H-IMP_decoy_scores.csv |
3GVP-NAD | data/3G/3GVP-NAD/3GVP-NAD_ligand.pdbqt | data/3G/3GVP-NAD/3GVP-NAD_target.pdbqt | data/3G/3GVP-NAD/3GVP-NAD_decoys.pdbqt | data/3G/3GVP-NAD/3GVP-NAD_decoy_scores.csv |
3GDL-UP6 | data/3G/3GDL-UP6/3GDL-UP6_ligand.pdbqt | data/3G/3GDL-UP6/3GDL-UP6_target.pdbqt | data/3G/3GDL-UP6/3GDL-UP6_decoys.pdbqt | data/3G/3GDL-UP6/3GDL-UP6_decoy_scores.csv |
3GSP-SGP | data/3G/3GSP-SGP/3GSP-SGP_ligand.pdbqt | data/3G/3GSP-SGP/3GSP-SGP_target.pdbqt | data/3G/3GSP-SGP/3GSP-SGP_decoys.pdbqt | data/3G/3GSP-SGP/3GSP-SGP_decoy_scores.csv |
3GCV-SS6 | data/3G/3GCV-SS6/3GCV-SS6_ligand.pdbqt | data/3G/3GCV-SS6/3GCV-SS6_target.pdbqt | data/3G/3GCV-SS6/3GCV-SS6_decoys.pdbqt | data/3G/3GCV-SS6/3GCV-SS6_decoy_scores.csv |
3GTS-D3M | data/3G/3GTS-D3M/3GTS-D3M_ligand.pdbqt | data/3G/3GTS-D3M/3GTS-D3M_target.pdbqt | data/3G/3GTS-D3M/3GTS-D3M_decoys.pdbqt | data/3G/3GTS-D3M/3GTS-D3M_decoy_scores.csv |
3G89-SAM | data/3G/3G89-SAM/3G89-SAM_ligand.pdbqt | data/3G/3G89-SAM/3G89-SAM_target.pdbqt | data/3G/3G89-SAM/3G89-SAM_decoys.pdbqt | data/3G/3G89-SAM/3G89-SAM_decoy_scores.csv |
3GLC-R5P | data/3G/3GLC-R5P/3GLC-R5P_ligand.pdbqt | data/3G/3GLC-R5P/3GLC-R5P_target.pdbqt | data/3G/3GLC-R5P/3GLC-R5P_decoys.pdbqt | data/3G/3GLC-R5P/3GLC-R5P_decoy_scores.csv |
3G8C-BTN | data/3G/3G8C-BTN/3G8C-BTN_ligand.pdbqt | data/3G/3G8C-BTN/3G8C-BTN_target.pdbqt | data/3G/3G8C-BTN/3G8C-BTN_decoys.pdbqt | data/3G/3G8C-BTN/3G8C-BTN_decoy_scores.csv |
3GY7-BEN | data/3G/3GY7-BEN/3GY7-BEN_ligand.pdbqt | data/3G/3GY7-BEN/3GY7-BEN_target.pdbqt | data/3G/3GY7-BEN/3GY7-BEN_decoys.pdbqt | data/3G/3GY7-BEN/3GY7-BEN_decoy_scores.csv |
3G5R-THG | data/3G/3G5R-THG/3G5R-THG_ligand.pdbqt | data/3G/3G5R-THG/3G5R-THG_target.pdbqt | data/3G/3G5R-THG/3G5R-THG_decoys.pdbqt | data/3G/3G5R-THG/3G5R-THG_decoy_scores.csv |
3G2F-ADP | data/3G/3G2F-ADP/3G2F-ADP_ligand.pdbqt | data/3G/3G2F-ADP/3G2F-ADP_target.pdbqt | null | null |
3G7F-NS5 | data/3G/3G7F-NS5/3G7F-NS5_ligand.pdbqt | data/3G/3G7F-NS5/3G7F-NS5_target.pdbqt | data/3G/3G7F-NS5/3G7F-NS5_decoys.pdbqt | data/3G/3G7F-NS5/3G7F-NS5_decoy_scores.csv |
3GFR-FMN | data/3G/3GFR-FMN/3GFR-FMN_ligand.pdbqt | data/3G/3GFR-FMN/3GFR-FMN_target.pdbqt | data/3G/3GFR-FMN/3GFR-FMN_decoys.pdbqt | data/3G/3GFR-FMN/3GFR-FMN_decoy_scores.csv |
3GFX-C2E | data/3G/3GFX-C2E/3GFX-C2E_ligand.pdbqt | data/3G/3GFX-C2E/3GFX-C2E_target.pdbqt | data/3G/3GFX-C2E/3GFX-C2E_decoys.pdbqt | data/3G/3GFX-C2E/3GFX-C2E_decoy_scores.csv |
3GQK-ATP | data/3G/3GQK-ATP/3GQK-ATP_ligand.pdbqt | data/3G/3GQK-ATP/3GQK-ATP_target.pdbqt | data/3G/3GQK-ATP/3GQK-ATP_decoys.pdbqt | data/3G/3GQK-ATP/3GQK-ATP_decoy_scores.csv |
3G5A-FMN | data/3G/3G5A-FMN/3G5A-FMN_ligand.pdbqt | data/3G/3G5A-FMN/3G5A-FMN_target.pdbqt | data/3G/3G5A-FMN/3G5A-FMN_decoys.pdbqt | data/3G/3G5A-FMN/3G5A-FMN_decoy_scores.csv |
3GQ8-NHE | data/3G/3GQ8-NHE/3GQ8-NHE_ligand.pdbqt | data/3G/3GQ8-NHE/3GQ8-NHE_target.pdbqt | data/3G/3GQ8-NHE/3GQ8-NHE_decoys.pdbqt | data/3G/3GQ8-NHE/3GQ8-NHE_decoy_scores.csv |
3G3M-5FU | data/3G/3G3M-5FU/3G3M-5FU_ligand.pdbqt | data/3G/3G3M-5FU/3G3M-5FU_target.pdbqt | data/3G/3G3M-5FU/3G3M-5FU_decoys.pdbqt | data/3G/3G3M-5FU/3G3M-5FU_decoy_scores.csv |
3G3D-5FU | data/3G/3G3D-5FU/3G3D-5FU_ligand.pdbqt | data/3G/3G3D-5FU/3G3D-5FU_target.pdbqt | data/3G/3G3D-5FU/3G3D-5FU_decoys.pdbqt | data/3G/3G3D-5FU/3G3D-5FU_decoy_scores.csv |
3GN7-3GN | data/3G/3GN7-3GN/3GN7-3GN_ligand.pdbqt | data/3G/3GN7-3GN/3GN7-3GN_target.pdbqt | data/3G/3GN7-3GN/3GN7-3GN_decoys.pdbqt | data/3G/3GN7-3GN/3GN7-3GN_decoy_scores.csv |
3G8C-ADP | data/3G/3G8C-ADP/3G8C-ADP_ligand.pdbqt | data/3G/3G8C-ADP/3G8C-ADP_target.pdbqt | data/3G/3G8C-ADP/3G8C-ADP_decoys.pdbqt | data/3G/3G8C-ADP/3G8C-ADP_decoy_scores.csv |
3GKA-FMN | data/3G/3GKA-FMN/3GKA-FMN_ligand.pdbqt | data/3G/3GKA-FMN/3GKA-FMN_target.pdbqt | data/3G/3GKA-FMN/3GKA-FMN_decoys.pdbqt | data/3G/3GKA-FMN/3GKA-FMN_decoy_scores.csv |
3GNR-G2F | data/3G/3GNR-G2F/3GNR-G2F_ligand.pdbqt | data/3G/3GNR-G2F/3GNR-G2F_target.pdbqt | data/3G/3GNR-G2F/3GNR-G2F_decoys.pdbqt | data/3G/3GNR-G2F/3GNR-G2F_decoy_scores.csv |
3GYE-FMN | data/3G/3GYE-FMN/3GYE-FMN_ligand.pdbqt | data/3G/3GYE-FMN/3GYE-FMN_target.pdbqt | data/3G/3GYE-FMN/3GYE-FMN_decoys.pdbqt | data/3G/3GYE-FMN/3GYE-FMN_decoy_scores.csv |
3G3J-GLU | data/3G/3G3J-GLU/3G3J-GLU_ligand.pdbqt | data/3G/3G3J-GLU/3G3J-GLU_target.pdbqt | data/3G/3G3J-GLU/3G3J-GLU_decoys.pdbqt | data/3G/3G3J-GLU/3G3J-GLU_decoy_scores.csv |
3GS6-NP6 | data/3G/3GS6-NP6/3GS6-NP6_ligand.pdbqt | data/3G/3GS6-NP6/3GS6-NP6_target.pdbqt | data/3G/3GS6-NP6/3GS6-NP6_decoys.pdbqt | data/3G/3GS6-NP6/3GS6-NP6_decoy_scores.csv |
3GAG-FMN | data/3G/3GAG-FMN/3GAG-FMN_ligand.pdbqt | data/3G/3GAG-FMN/3GAG-FMN_target.pdbqt | data/3G/3GAG-FMN/3GAG-FMN_decoys.pdbqt | data/3G/3GAG-FMN/3GAG-FMN_decoy_scores.csv |
3G8A-SAH | data/3G/3G8A-SAH/3G8A-SAH_ligand.pdbqt | data/3G/3G8A-SAH/3G8A-SAH_target.pdbqt | data/3G/3G8A-SAH/3G8A-SAH_decoys.pdbqt | data/3G/3G8A-SAH/3G8A-SAH_decoy_scores.csv |
3GP0-NIL | data/3G/3GP0-NIL/3GP0-NIL_ligand.pdbqt | data/3G/3GP0-NIL/3GP0-NIL_target.pdbqt | data/3G/3GP0-NIL/3GP0-NIL_decoys.pdbqt | data/3G/3GP0-NIL/3GP0-NIL_decoy_scores.csv |
3GEN-B43 | data/3G/3GEN-B43/3GEN-B43_ligand.pdbqt | data/3G/3GEN-B43/3GEN-B43_target.pdbqt | data/3G/3GEN-B43/3GEN-B43_decoys.pdbqt | data/3G/3GEN-B43/3GEN-B43_decoy_scores.csv |
3GU6-ADP | data/3G/3GU6-ADP/3GU6-ADP_ligand.pdbqt | data/3G/3GU6-ADP/3GU6-ADP_target.pdbqt | data/3G/3GU6-ADP/3GU6-ADP_decoys.pdbqt | data/3G/3GU6-ADP/3GU6-ADP_decoy_scores.csv |
3G88-SAM | data/3G/3G88-SAM/3G88-SAM_ligand.pdbqt | data/3G/3G88-SAM/3G88-SAM_target.pdbqt | data/3G/3G88-SAM/3G88-SAM_decoys.pdbqt | data/3G/3G88-SAM/3G88-SAM_decoy_scores.csv |
3G1U-ADN | data/3G/3G1U-ADN/3G1U-ADN_ligand.pdbqt | data/3G/3G1U-ADN/3G1U-ADN_target.pdbqt | data/3G/3G1U-ADN/3G1U-ADN_decoys.pdbqt | data/3G/3G1U-ADN/3G1U-ADN_decoy_scores.csv |
3GNX-XYL | data/3G/3GNX-XYL/3GNX-XYL_ligand.pdbqt | data/3G/3GNX-XYL/3GNX-XYL_target.pdbqt | data/3G/3GNX-XYL/3GNX-XYL_decoys.pdbqt | data/3G/3GNX-XYL/3GNX-XYL_decoy_scores.csv |
3GBA-DYH | data/3G/3GBA-DYH/3GBA-DYH_ligand.pdbqt | data/3G/3GBA-DYH/3GBA-DYH_target.pdbqt | data/3G/3GBA-DYH/3GBA-DYH_decoys.pdbqt | data/3G/3GBA-DYH/3GBA-DYH_decoy_scores.csv |
3GBR-PRP | data/3G/3GBR-PRP/3GBR-PRP_ligand.pdbqt | data/3G/3GBR-PRP/3GBR-PRP_target.pdbqt | data/3G/3GBR-PRP/3GBR-PRP_decoys.pdbqt | data/3G/3GBR-PRP/3GBR-PRP_decoy_scores.csv |
3GG1-FMN | data/3G/3GG1-FMN/3GG1-FMN_ligand.pdbqt | data/3G/3GG1-FMN/3GG1-FMN_target.pdbqt | data/3G/3GG1-FMN/3GG1-FMN_decoys.pdbqt | data/3G/3GG1-FMN/3GG1-FMN_decoy_scores.csv |
3GT4-I3C | data/3G/3GT4-I3C/3GT4-I3C_ligand.pdbqt | data/3G/3GT4-I3C/3GT4-I3C_target.pdbqt | data/3G/3GT4-I3C/3GT4-I3C_decoys.pdbqt | data/3G/3GT4-I3C/3GT4-I3C_decoy_scores.csv |
3GBJ-ADP | data/3G/3GBJ-ADP/3GBJ-ADP_ligand.pdbqt | data/3G/3GBJ-ADP/3GBJ-ADP_target.pdbqt | data/3G/3GBJ-ADP/3GBJ-ADP_decoys.pdbqt | data/3G/3GBJ-ADP/3GBJ-ADP_decoy_scores.csv |
3GGP-NAD | data/3G/3GGP-NAD/3GGP-NAD_ligand.pdbqt | data/3G/3GGP-NAD/3GGP-NAD_target.pdbqt | data/3G/3GGP-NAD/3GGP-NAD_decoys.pdbqt | data/3G/3GGP-NAD/3GGP-NAD_decoy_scores.csv |
3G8I-RO7 | data/3G/3G8I-RO7/3G8I-RO7_ligand.pdbqt | data/3G/3G8I-RO7/3G8I-RO7_target.pdbqt | data/3G/3G8I-RO7/3G8I-RO7_decoys.pdbqt | data/3G/3G8I-RO7/3G8I-RO7_decoy_scores.csv |
3GFX-FMN | data/3G/3GFX-FMN/3GFX-FMN_ligand.pdbqt | data/3G/3GFX-FMN/3GFX-FMN_target.pdbqt | data/3G/3GFX-FMN/3GFX-FMN_decoys.pdbqt | data/3G/3GFX-FMN/3GFX-FMN_decoy_scores.csv |
3GY8-BRN | data/3G/3GY8-BRN/3GY8-BRN_ligand.pdbqt | data/3G/3GY8-BRN/3GY8-BRN_target.pdbqt | data/3G/3GY8-BRN/3GY8-BRN_decoys.pdbqt | data/3G/3GY8-BRN/3GY8-BRN_decoy_scores.csv |
3GHW-GHW | data/3G/3GHW-GHW/3GHW-GHW_ligand.pdbqt | data/3G/3GHW-GHW/3GHW-GHW_target.pdbqt | data/3G/3GHW-GHW/3GHW-GHW_decoys.pdbqt | data/3G/3GHW-GHW/3GHW-GHW_decoy_scores.csv |
3GHC-GHC | data/3G/3GHC-GHC/3GHC-GHC_ligand.pdbqt | data/3G/3GHC-GHC/3GHC-GHC_target.pdbqt | data/3G/3GHC-GHC/3GHC-GHC_decoys.pdbqt | data/3G/3GHC-GHC/3GHC-GHC_decoy_scores.csv |
3GU8-3GU | data/3G/3GU8-3GU/3GU8-3GU_ligand.pdbqt | data/3G/3GU8-3GU/3GU8-3GU_target.pdbqt | data/3G/3GU8-3GU/3GU8-3GU_decoys.pdbqt | data/3G/3GU8-3GU/3GU8-3GU_decoy_scores.csv |
3G2I-RUG | data/3G/3G2I-RUG/3G2I-RUG_ligand.pdbqt | data/3G/3G2I-RUG/3G2I-RUG_target.pdbqt | data/3G/3G2I-RUG/3G2I-RUG_decoys.pdbqt | data/3G/3G2I-RUG/3G2I-RUG_decoy_scores.csv |
3G5T-SAH | data/3G/3G5T-SAH/3G5T-SAH_ligand.pdbqt | data/3G/3G5T-SAH/3G5T-SAH_target.pdbqt | data/3G/3G5T-SAH/3G5T-SAH_decoys.pdbqt | data/3G/3G5T-SAH/3G5T-SAH_decoy_scores.csv |
3GYT-DL4 | data/3G/3GYT-DL4/3GYT-DL4_ligand.pdbqt | data/3G/3GYT-DL4/3GYT-DL4_target.pdbqt | data/3G/3GYT-DL4/3GYT-DL4_decoys.pdbqt | data/3G/3GYT-DL4/3GYT-DL4_decoy_scores.csv |
3GL0-HXX | data/3G/3GL0-HXX/3GL0-HXX_ligand.pdbqt | data/3G/3GL0-HXX/3GL0-HXX_target.pdbqt | data/3G/3GL0-HXX/3GL0-HXX_decoys.pdbqt | data/3G/3GL0-HXX/3GL0-HXX_decoy_scores.csv |
3GIA-BCN | data/3G/3GIA-BCN/3GIA-BCN_ligand.pdbqt | data/3G/3GIA-BCN/3GIA-BCN_target.pdbqt | data/3G/3GIA-BCN/3GIA-BCN_decoys.pdbqt | data/3G/3GIA-BCN/3GIA-BCN_decoy_scores.csv |
3G3I-GLU | data/3G/3G3I-GLU/3G3I-GLU_ligand.pdbqt | data/3G/3G3I-GLU/3G3I-GLU_target.pdbqt | data/3G/3G3I-GLU/3G3I-GLU_decoys.pdbqt | data/3G/3G3I-GLU/3G3I-GLU_decoy_scores.csv |
3G5N-CM5 | data/3G/3G5N-CM5/3G5N-CM5_ligand.pdbqt | data/3G/3G5N-CM5/3G5N-CM5_target.pdbqt | data/3G/3G5N-CM5/3G5N-CM5_decoys.pdbqt | data/3G/3G5N-CM5/3G5N-CM5_decoy_scores.csv |
3GID-S1A | data/3G/3GID-S1A/3GID-S1A_ligand.pdbqt | data/3G/3GID-S1A/3GID-S1A_target.pdbqt | data/3G/3GID-S1A/3GID-S1A_decoys.pdbqt | data/3G/3GID-S1A/3GID-S1A_decoy_scores.csv |
3G6Z-A7T | data/3G/3G6Z-A7T/3G6Z-A7T_ligand.pdbqt | data/3G/3G6Z-A7T/3G6Z-A7T_target.pdbqt | data/3G/3G6Z-A7T/3G6Z-A7T_decoys.pdbqt | data/3G/3G6Z-A7T/3G6Z-A7T_decoy_scores.csv |
3GUR-BYG | data/3G/3GUR-BYG/3GUR-BYG_ligand.pdbqt | data/3G/3GUR-BYG/3GUR-BYG_target.pdbqt | data/3G/3GUR-BYG/3GUR-BYG_decoys.pdbqt | data/3G/3GUR-BYG/3GUR-BYG_decoy_scores.csv |
3GO4-SAH | data/3G/3GO4-SAH/3GO4-SAH_ligand.pdbqt | data/3G/3GO4-SAH/3GO4-SAH_target.pdbqt | data/3G/3GO4-SAH/3GO4-SAH_decoys.pdbqt | data/3G/3GO4-SAH/3GO4-SAH_decoy_scores.csv |
3GC8-B45 | data/3G/3GC8-B45/3GC8-B45_ligand.pdbqt | data/3G/3GC8-B45/3GC8-B45_target.pdbqt | data/3G/3GC8-B45/3GC8-B45_decoys.pdbqt | data/3G/3GC8-B45/3GC8-B45_decoy_scores.csv |
3GV9-GV9 | data/3G/3GV9-GV9/3GV9-GV9_ligand.pdbqt | data/3G/3GV9-GV9/3GV9-GV9_target.pdbqt | data/3G/3GV9-GV9/3GV9-GV9_decoys.pdbqt | data/3G/3GV9-GV9/3GV9-GV9_decoy_scores.csv |
3GZX-BNL | data/3G/3GZX-BNL/3GZX-BNL_ligand.pdbqt | data/3G/3GZX-BNL/3GZX-BNL_target.pdbqt | data/3G/3GZX-BNL/3GZX-BNL_decoys.pdbqt | data/3G/3GZX-BNL/3GZX-BNL_decoy_scores.csv |
3G6K-BGC | data/3G/3G6K-BGC/3G6K-BGC_ligand.pdbqt | data/3G/3G6K-BGC/3G6K-BGC_target.pdbqt | data/3G/3G6K-BGC/3G6K-BGC_decoys.pdbqt | data/3G/3G6K-BGC/3G6K-BGC_decoy_scores.csv |
3GEQ-PP2 | data/3G/3GEQ-PP2/3GEQ-PP2_ligand.pdbqt | data/3G/3GEQ-PP2/3GEQ-PP2_target.pdbqt | data/3G/3GEQ-PP2/3GEQ-PP2_decoys.pdbqt | data/3G/3GEQ-PP2/3GEQ-PP2_decoy_scores.csv |
3GI4-K60 | data/3G/3GI4-K60/3GI4-K60_ligand.pdbqt | data/3G/3GI4-K60/3GI4-K60_target.pdbqt | data/3G/3GI4-K60/3GI4-K60_decoys.pdbqt | data/3G/3GI4-K60/3GI4-K60_decoy_scores.csv |
3G5K-BB2 | data/3G/3G5K-BB2/3G5K-BB2_ligand.pdbqt | data/3G/3G5K-BB2/3G5K-BB2_target.pdbqt | data/3G/3G5K-BB2/3G5K-BB2_decoys.pdbqt | data/3G/3G5K-BB2/3G5K-BB2_decoy_scores.csv |
3GLQ-NAD | data/3G/3GLQ-NAD/3GLQ-NAD_ligand.pdbqt | data/3G/3GLQ-NAD/3GLQ-NAD_target.pdbqt | data/3G/3GLQ-NAD/3GLQ-NAD_decoys.pdbqt | data/3G/3GLQ-NAD/3GLQ-NAD_decoy_scores.csv |
3GS4-7BD | data/3G/3GS4-7BD/3GS4-7BD_ligand.pdbqt | data/3G/3GS4-7BD/3GS4-7BD_target.pdbqt | data/3G/3GS4-7BD/3GS4-7BD_decoys.pdbqt | data/3G/3GS4-7BD/3GS4-7BD_decoy_scores.csv |
3G51-ANP | data/3G/3G51-ANP/3G51-ANP_ligand.pdbqt | data/3G/3G51-ANP/3G51-ANP_target.pdbqt | data/3G/3G51-ANP/3G51-ANP_decoys.pdbqt | data/3G/3G51-ANP/3G51-ANP_decoy_scores.csv |
3G2O-SAM | data/3G/3G2O-SAM/3G2O-SAM_ligand.pdbqt | data/3G/3G2O-SAM/3G2O-SAM_target.pdbqt | data/3G/3G2O-SAM/3G2O-SAM_decoys.pdbqt | data/3G/3G2O-SAM/3G2O-SAM_decoy_scores.csv |
3GI2-GHW | data/3G/3GI2-GHW/3GI2-GHW_ligand.pdbqt | data/3G/3GI2-GHW/3GI2-GHW_target.pdbqt | data/3G/3GI2-GHW/3GI2-GHW_decoys.pdbqt | data/3G/3GI2-GHW/3GI2-GHW_decoy_scores.csv |
3GSM-VPU | data/3G/3GSM-VPU/3GSM-VPU_ligand.pdbqt | data/3G/3GSM-VPU/3GSM-VPU_target.pdbqt | data/3G/3GSM-VPU/3GSM-VPU_decoys.pdbqt | data/3G/3GSM-VPU/3GSM-VPU_decoy_scores.csv |
3G0X-ORO | data/3G/3G0X-ORO/3G0X-ORO_ligand.pdbqt | data/3G/3G0X-ORO/3G0X-ORO_target.pdbqt | data/3G/3G0X-ORO/3G0X-ORO_decoys.pdbqt | data/3G/3G0X-ORO/3G0X-ORO_decoy_scores.csv |
3GWV-RFX | data/3G/3GWV-RFX/3GWV-RFX_ligand.pdbqt | data/3G/3GWV-RFX/3GWV-RFX_target.pdbqt | data/3G/3GWV-RFX/3GWV-RFX_decoys.pdbqt | data/3G/3GWV-RFX/3GWV-RFX_decoy_scores.csv |
3GN2-AX8 | data/3G/3GN2-AX8/3GN2-AX8_ligand.pdbqt | data/3G/3GN2-AX8/3GN2-AX8_target.pdbqt | data/3G/3GN2-AX8/3GN2-AX8_decoys.pdbqt | data/3G/3GN2-AX8/3GN2-AX8_decoy_scores.csv |
3GBE-FLC | data/3G/3GBE-FLC/3GBE-FLC_ligand.pdbqt | data/3G/3GBE-FLC/3GBE-FLC_target.pdbqt | data/3G/3GBE-FLC/3GBE-FLC_decoys.pdbqt | data/3G/3GBE-FLC/3GBE-FLC_decoy_scores.csv |
3GDT-UP6 | data/3G/3GDT-UP6/3GDT-UP6_ligand.pdbqt | data/3G/3GDT-UP6/3GDT-UP6_target.pdbqt | data/3G/3GDT-UP6/3GDT-UP6_decoys.pdbqt | data/3G/3GDT-UP6/3GDT-UP6_decoy_scores.csv |
3GY5-BRN | data/3G/3GY5-BRN/3GY5-BRN_ligand.pdbqt | data/3G/3GY5-BRN/3GY5-BRN_target.pdbqt | data/3G/3GY5-BRN/3GY5-BRN_decoys.pdbqt | data/3G/3GY5-BRN/3GY5-BRN_decoy_scores.csv |
3GNC-QQQ | data/3G/3GNC-QQQ/3GNC-QQQ_ligand.pdbqt | data/3G/3GNC-QQQ/3GNC-QQQ_target.pdbqt | data/3G/3GNC-QQQ/3GNC-QQQ_decoys.pdbqt | data/3G/3GNC-QQQ/3GNC-QQQ_decoy_scores.csv |
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