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 ⌀ |
|---|---|---|---|---|
3R8G-IZP | data/3R/3R8G-IZP/3R8G-IZP_ligand.pdbqt | data/3R/3R8G-IZP/3R8G-IZP_target.pdbqt | data/3R/3R8G-IZP/3R8G-IZP_decoys.pdbqt | data/3R/3R8G-IZP/3R8G-IZP_decoy_scores.csv |
3R49-Q8A | data/3R/3R49-Q8A/3R49-Q8A_ligand.pdbqt | data/3R/3R49-Q8A/3R49-Q8A_target.pdbqt | data/3R/3R49-Q8A/3R49-Q8A_decoys.pdbqt | data/3R/3R49-Q8A/3R49-Q8A_decoy_scores.csv |
3RPN-GTX | data/3R/3RPN-GTX/3RPN-GTX_ligand.pdbqt | data/3R/3RPN-GTX/3RPN-GTX_target.pdbqt | data/3R/3RPN-GTX/3RPN-GTX_decoys.pdbqt | data/3R/3RPN-GTX/3RPN-GTX_decoy_scores.csv |
3RV6-RVA | data/3R/3RV6-RVA/3RV6-RVA_ligand.pdbqt | data/3R/3RV6-RVA/3RV6-RVA_target.pdbqt | data/3R/3RV6-RVA/3RV6-RVA_decoys.pdbqt | data/3R/3RV6-RVA/3RV6-RVA_decoy_scores.csv |
3R9F-GSU | data/3R/3R9F-GSU/3R9F-GSU_ligand.pdbqt | data/3R/3R9F-GSU/3R9F-GSU_target.pdbqt | data/3R/3R9F-GSU/3R9F-GSU_decoys.pdbqt | data/3R/3R9F-GSU/3R9F-GSU_decoy_scores.csv |
3REO-EUG | data/3R/3REO-EUG/3REO-EUG_ligand.pdbqt | data/3R/3REO-EUG/3REO-EUG_target.pdbqt | data/3R/3REO-EUG/3REO-EUG_decoys.pdbqt | data/3R/3REO-EUG/3REO-EUG_decoy_scores.csv |
3RK5-07Z | data/3R/3RK5-07Z/3RK5-07Z_ligand.pdbqt | data/3R/3RK5-07Z/3RK5-07Z_target.pdbqt | data/3R/3RK5-07Z/3RK5-07Z_decoys.pdbqt | data/3R/3RK5-07Z/3RK5-07Z_decoy_scores.csv |
3RLB-BNG | data/3R/3RLB-BNG/3RLB-BNG_ligand.pdbqt | data/3R/3RLB-BNG/3RLB-BNG_target.pdbqt | data/3R/3RLB-BNG/3RLB-BNG_decoys.pdbqt | data/3R/3RLB-BNG/3RLB-BNG_decoy_scores.csv |
3RHF-FLC | data/3R/3RHF-FLC/3RHF-FLC_ligand.pdbqt | data/3R/3RHF-FLC/3RHF-FLC_target.pdbqt | data/3R/3RHF-FLC/3RHF-FLC_decoys.pdbqt | data/3R/3RHF-FLC/3RHF-FLC_decoy_scores.csv |
3R2H-CXS | data/3R/3R2H-CXS/3R2H-CXS_ligand.pdbqt | data/3R/3R2H-CXS/3R2H-CXS_target.pdbqt | data/3R/3R2H-CXS/3R2H-CXS_decoys.pdbqt | data/3R/3R2H-CXS/3R2H-CXS_decoy_scores.csv |
3RUC-NAD | data/3R/3RUC-NAD/3RUC-NAD_ligand.pdbqt | data/3R/3RUC-NAD/3RUC-NAD_target.pdbqt | data/3R/3RUC-NAD/3RUC-NAD_decoys.pdbqt | data/3R/3RUC-NAD/3RUC-NAD_decoy_scores.csv |
3RFV-NAI | data/3R/3RFV-NAI/3RFV-NAI_ligand.pdbqt | data/3R/3RFV-NAI/3RFV-NAI_target.pdbqt | data/3R/3RFV-NAI/3RFV-NAI_decoys.pdbqt | data/3R/3RFV-NAI/3RFV-NAI_decoy_scores.csv |
3RI3-EMO | data/3R/3RI3-EMO/3RI3-EMO_ligand.pdbqt | data/3R/3RI3-EMO/3RI3-EMO_target.pdbqt | data/3R/3RI3-EMO/3RI3-EMO_decoys.pdbqt | data/3R/3RI3-EMO/3RI3-EMO_decoy_scores.csv |
3RN6-IGA | data/3R/3RN6-IGA/3RN6-IGA_ligand.pdbqt | data/3R/3RN6-IGA/3RN6-IGA_target.pdbqt | data/3R/3RN6-IGA/3RN6-IGA_decoys.pdbqt | data/3R/3RN6-IGA/3RN6-IGA_decoy_scores.csv |
3RIH-PG5 | data/3R/3RIH-PG5/3RIH-PG5_ligand.pdbqt | data/3R/3RIH-PG5/3RIH-PG5_target.pdbqt | data/3R/3RIH-PG5/3RIH-PG5_decoys.pdbqt | data/3R/3RIH-PG5/3RIH-PG5_decoy_scores.csv |
3RXK-SZ8 | data/3R/3RXK-SZ8/3RXK-SZ8_ligand.pdbqt | data/3R/3RXK-SZ8/3RXK-SZ8_target.pdbqt | data/3R/3RXK-SZ8/3RXK-SZ8_decoys.pdbqt | data/3R/3RXK-SZ8/3RXK-SZ8_decoy_scores.csv |
3ROM-48Z | data/3R/3ROM-48Z/3ROM-48Z_ligand.pdbqt | data/3R/3ROM-48Z/3ROM-48Z_target.pdbqt | data/3R/3ROM-48Z/3ROM-48Z_decoys.pdbqt | data/3R/3ROM-48Z/3ROM-48Z_decoy_scores.csv |
3R9E-DSZ | data/3R/3R9E-DSZ/3R9E-DSZ_ligand.pdbqt | data/3R/3R9E-DSZ/3R9E-DSZ_target.pdbqt | data/3R/3R9E-DSZ/3R9E-DSZ_decoys.pdbqt | data/3R/3R9E-DSZ/3R9E-DSZ_decoy_scores.csv |
3RS7-GNP | data/3R/3RS7-GNP/3RS7-GNP_ligand.pdbqt | data/3R/3RS7-GNP/3RS7-GNP_target.pdbqt | data/3R/3RS7-GNP/3RS7-GNP_decoys.pdbqt | data/3R/3RS7-GNP/3RS7-GNP_decoy_scores.csv |
3RME-RME | data/3R/3RME-RME/3RME-RME_ligand.pdbqt | data/3R/3RME-RME/3RME-RME_target.pdbqt | data/3R/3RME-RME/3RME-RME_decoys.pdbqt | data/3R/3RME-RME/3RME-RME_decoy_scores.csv |
3RPS-4B0 | data/3R/3RPS-4B0/3RPS-4B0_ligand.pdbqt | data/3R/3RPS-4B0/3RPS-4B0_target.pdbqt | data/3R/3RPS-4B0/3RPS-4B0_decoys.pdbqt | data/3R/3RPS-4B0/3RPS-4B0_decoy_scores.csv |
3R04-UNQ | data/3R/3R04-UNQ/3R04-UNQ_ligand.pdbqt | data/3R/3R04-UNQ/3R04-UNQ_target.pdbqt | data/3R/3R04-UNQ/3R04-UNQ_decoys.pdbqt | data/3R/3R04-UNQ/3R04-UNQ_decoy_scores.csv |
3RMO-S04 | data/3R/3RMO-S04/3RMO-S04_ligand.pdbqt | data/3R/3RMO-S04/3RMO-S04_target.pdbqt | data/3R/3RMO-S04/3RMO-S04_decoys.pdbqt | data/3R/3RMO-S04/3RMO-S04_decoy_scores.csv |
3RQM-X2E | data/3R/3RQM-X2E/3RQM-X2E_ligand.pdbqt | data/3R/3RQM-X2E/3RQM-X2E_target.pdbqt | data/3R/3RQM-X2E/3RQM-X2E_decoys.pdbqt | data/3R/3RQM-X2E/3RQM-X2E_decoy_scores.csv |
3RLB-VIB | data/3R/3RLB-VIB/3RLB-VIB_ligand.pdbqt | data/3R/3RLB-VIB/3RLB-VIB_target.pdbqt | data/3R/3RLB-VIB/3RLB-VIB_decoys.pdbqt | data/3R/3RLB-VIB/3RLB-VIB_decoy_scores.csv |
3ROJ-AMP | data/3R/3ROJ-AMP/3ROJ-AMP_ligand.pdbqt | data/3R/3ROJ-AMP/3ROJ-AMP_target.pdbqt | data/3R/3ROJ-AMP/3ROJ-AMP_decoys.pdbqt | data/3R/3ROJ-AMP/3ROJ-AMP_decoy_scores.csv |
3RQO-H4B | data/3R/3RQO-H4B/3RQO-H4B_ligand.pdbqt | data/3R/3RQO-H4B/3RQO-H4B_target.pdbqt | null | null |
3RK1-ATP | data/3R/3RK1-ATP/3RK1-ATP_ligand.pdbqt | data/3R/3RK1-ATP/3RK1-ATP_target.pdbqt | data/3R/3RK1-ATP/3RK1-ATP_decoys.pdbqt | data/3R/3RK1-ATP/3RK1-ATP_decoy_scores.csv |
3RQJ-H4B | data/3R/3RQJ-H4B/3RQJ-H4B_ligand.pdbqt | data/3R/3RQJ-H4B/3RQJ-H4B_target.pdbqt | data/3R/3RQJ-H4B/3RQJ-H4B_decoys.pdbqt | data/3R/3RQJ-H4B/3RQJ-H4B_decoy_scores.csv |
3RIY-NAD | data/3R/3RIY-NAD/3RIY-NAD_ligand.pdbqt | data/3R/3RIY-NAD/3RIY-NAD_target.pdbqt | data/3R/3RIY-NAD/3RIY-NAD_decoys.pdbqt | data/3R/3RIY-NAD/3RIY-NAD_decoy_scores.csv |
3R4Z-GLA | data/3R/3R4Z-GLA/3R4Z-GLA_ligand.pdbqt | data/3R/3R4Z-GLA/3R4Z-GLA_target.pdbqt | data/3R/3R4Z-GLA/3R4Z-GLA_decoys.pdbqt | data/3R/3R4Z-GLA/3R4Z-GLA_decoy_scores.csv |
3R92-06J | data/3R/3R92-06J/3R92-06J_ligand.pdbqt | data/3R/3R92-06J/3R92-06J_target.pdbqt | data/3R/3R92-06J/3R92-06J_decoys.pdbqt | data/3R/3R92-06J/3R92-06J_decoy_scores.csv |
3RD0-EDP | data/3R/3RD0-EDP/3RD0-EDP_ligand.pdbqt | data/3R/3RD0-EDP/3RD0-EDP_target.pdbqt | data/3R/3RD0-EDP/3RD0-EDP_decoys.pdbqt | data/3R/3RD0-EDP/3RD0-EDP_decoy_scores.csv |
3RIE-JFQ | data/3R/3RIE-JFQ/3RIE-JFQ_ligand.pdbqt | data/3R/3RIE-JFQ/3RIE-JFQ_target.pdbqt | data/3R/3RIE-JFQ/3RIE-JFQ_decoys.pdbqt | data/3R/3RIE-JFQ/3RIE-JFQ_decoy_scores.csv |
3RN8-GLU | data/3R/3RN8-GLU/3RN8-GLU_ligand.pdbqt | data/3R/3RN8-GLU/3RN8-GLU_target.pdbqt | data/3R/3RN8-GLU/3RN8-GLU_decoys.pdbqt | data/3R/3RN8-GLU/3RN8-GLU_decoy_scores.csv |
3REX-AMP | data/3R/3REX-AMP/3REX-AMP_ligand.pdbqt | data/3R/3REX-AMP/3REX-AMP_target.pdbqt | data/3R/3REX-AMP/3REX-AMP_decoys.pdbqt | data/3R/3REX-AMP/3REX-AMP_decoy_scores.csv |
3ROQ-46Z | data/3R/3ROQ-46Z/3ROQ-46Z_ligand.pdbqt | data/3R/3ROQ-46Z/3ROQ-46Z_target.pdbqt | data/3R/3ROQ-46Z/3ROQ-46Z_decoys.pdbqt | data/3R/3ROQ-46Z/3ROQ-46Z_decoy_scores.csv |
3R8Z-Z63 | data/3R/3R8Z-Z63/3R8Z-Z63_ligand.pdbqt | data/3R/3R8Z-Z63/3R8Z-Z63_target.pdbqt | data/3R/3R8Z-Z63/3R8Z-Z63_decoys.pdbqt | data/3R/3R8Z-Z63/3R8Z-Z63_decoy_scores.csv |
3RJA-ABL | data/3R/3RJA-ABL/3RJA-ABL_ligand.pdbqt | data/3R/3RJA-ABL/3RJA-ABL_target.pdbqt | data/3R/3RJA-ABL/3RJA-ABL_decoys.pdbqt | data/3R/3RJA-ABL/3RJA-ABL_decoy_scores.csv |
3RXS-SZ4 | data/3R/3RXS-SZ4/3RXS-SZ4_ligand.pdbqt | data/3R/3RXS-SZ4/3RXS-SZ4_target.pdbqt | data/3R/3RXS-SZ4/3RXS-SZ4_decoys.pdbqt | data/3R/3RXS-SZ4/3RXS-SZ4_decoy_scores.csv |
3RML-M31 | data/3R/3RML-M31/3RML-M31_ligand.pdbqt | data/3R/3RML-M31/3RML-M31_target.pdbqt | data/3R/3RML-M31/3RML-M31_decoys.pdbqt | data/3R/3RML-M31/3RML-M31_decoy_scores.csv |
3RLW-S28 | data/3R/3RLW-S28/3RLW-S28_ligand.pdbqt | data/3R/3RLW-S28/3RLW-S28_target.pdbqt | data/3R/3RLW-S28/3RLW-S28_decoys.pdbqt | data/3R/3RLW-S28/3RLW-S28_decoy_scores.csv |
3RET-SAL | data/3R/3RET-SAL/3RET-SAL_ligand.pdbqt | data/3R/3RET-SAL/3RET-SAL_target.pdbqt | data/3R/3RET-SAL/3RET-SAL_decoys.pdbqt | data/3R/3RET-SAL/3RET-SAL_decoy_scores.csv |
3RNJ-EDT | data/3R/3RNJ-EDT/3RNJ-EDT_ligand.pdbqt | data/3R/3RNJ-EDT/3RNJ-EDT_target.pdbqt | data/3R/3RNJ-EDT/3RNJ-EDT_decoys.pdbqt | data/3R/3RNJ-EDT/3RNJ-EDT_decoy_scores.csv |
3R0F-AG7 | data/3R/3R0F-AG7/3R0F-AG7_ligand.pdbqt | data/3R/3R0F-AG7/3R0F-AG7_target.pdbqt | data/3R/3R0F-AG7/3R0F-AG7_decoys.pdbqt | data/3R/3R0F-AG7/3R0F-AG7_decoy_scores.csv |
3RLP-3RP | data/3R/3RLP-3RP/3RLP-3RP_ligand.pdbqt | data/3R/3RLP-3RP/3RLP-3RP_target.pdbqt | data/3R/3RLP-3RP/3RLP-3RP_decoys.pdbqt | data/3R/3RLP-3RP/3RLP-3RP_decoy_scores.csv |
3R51-MMA | data/3R/3R51-MMA/3R51-MMA_ligand.pdbqt | data/3R/3R51-MMA/3R51-MMA_target.pdbqt | data/3R/3R51-MMA/3R51-MMA_decoys.pdbqt | data/3R/3R51-MMA/3R51-MMA_decoy_scores.csv |
3RAB-GNP | data/3R/3RAB-GNP/3RAB-GNP_ligand.pdbqt | data/3R/3RAB-GNP/3RAB-GNP_target.pdbqt | data/3R/3RAB-GNP/3RAB-GNP_decoys.pdbqt | data/3R/3RAB-GNP/3RAB-GNP_decoy_scores.csv |
3RLU-BMP | data/3R/3RLU-BMP/3RLU-BMP_ligand.pdbqt | data/3R/3RLU-BMP/3RLU-BMP_target.pdbqt | data/3R/3RLU-BMP/3RLU-BMP_decoys.pdbqt | data/3R/3RLU-BMP/3RLU-BMP_decoy_scores.csv |
3RZI-PHE | data/3R/3RZI-PHE/3RZI-PHE_ligand.pdbqt | data/3R/3RZI-PHE/3RZI-PHE_target.pdbqt | data/3R/3RZI-PHE/3RZI-PHE_decoys.pdbqt | data/3R/3RZI-PHE/3RZI-PHE_decoy_scores.csv |
3RTD-NAX | data/3R/3RTD-NAX/3RTD-NAX_ligand.pdbqt | data/3R/3RTD-NAX/3RTD-NAX_target.pdbqt | data/3R/3RTD-NAX/3RTD-NAX_decoys.pdbqt | data/3R/3RTD-NAX/3RTD-NAX_decoy_scores.csv |
3R0W-RSY | data/3R/3R0W-RSY/3R0W-RSY_ligand.pdbqt | data/3R/3R0W-RSY/3R0W-RSY_target.pdbqt | data/3R/3R0W-RSY/3R0W-RSY_decoys.pdbqt | data/3R/3R0W-RSY/3R0W-RSY_decoy_scores.csv |
3RXV-BEN | data/3R/3RXV-BEN/3RXV-BEN_ligand.pdbqt | data/3R/3RXV-BEN/3RXV-BEN_target.pdbqt | data/3R/3RXV-BEN/3RXV-BEN_decoys.pdbqt | data/3R/3RXV-BEN/3RXV-BEN_decoy_scores.csv |
3RSC-C0T | data/3R/3RSC-C0T/3RSC-C0T_ligand.pdbqt | data/3R/3RSC-C0T/3RSC-C0T_target.pdbqt | data/3R/3RSC-C0T/3RSC-C0T_decoys.pdbqt | data/3R/3RSC-C0T/3RSC-C0T_decoy_scores.csv |
3RC1-TLO | data/3R/3RC1-TLO/3RC1-TLO_ligand.pdbqt | data/3R/3RC1-TLO/3RC1-TLO_target.pdbqt | data/3R/3RC1-TLO/3RC1-TLO_decoys.pdbqt | data/3R/3RC1-TLO/3RC1-TLO_decoy_scores.csv |
3RGG-AIR | data/3R/3RGG-AIR/3RGG-AIR_ligand.pdbqt | data/3R/3RGG-AIR/3RGG-AIR_target.pdbqt | data/3R/3RGG-AIR/3RGG-AIR_decoys.pdbqt | data/3R/3RGG-AIR/3RGG-AIR_decoy_scores.csv |
3RL9-ADE | data/3R/3RL9-ADE/3RL9-ADE_ligand.pdbqt | data/3R/3RL9-ADE/3RL9-ADE_target.pdbqt | data/3R/3RL9-ADE/3RL9-ADE_decoys.pdbqt | data/3R/3RL9-ADE/3RL9-ADE_decoy_scores.csv |
3R6W-NFZ | data/3R/3R6W-NFZ/3R6W-NFZ_ligand.pdbqt | data/3R/3R6W-NFZ/3R6W-NFZ_target.pdbqt | data/3R/3R6W-NFZ/3R6W-NFZ_decoys.pdbqt | data/3R/3R6W-NFZ/3R6W-NFZ_decoy_scores.csv |
3R57-N3M | data/3R/3R57-N3M/3R57-N3M_ligand.pdbqt | data/3R/3R57-N3M/3R57-N3M_target.pdbqt | data/3R/3R57-N3M/3R57-N3M_decoys.pdbqt | data/3R/3R57-N3M/3R57-N3M_decoy_scores.csv |
3RND-FMN | data/3R/3RND-FMN/3RND-FMN_ligand.pdbqt | data/3R/3RND-FMN/3RND-FMN_target.pdbqt | data/3R/3RND-FMN/3RND-FMN_decoys.pdbqt | data/3R/3RND-FMN/3RND-FMN_decoy_scores.csv |
3RPL-AMP | data/3R/3RPL-AMP/3RPL-AMP_ligand.pdbqt | data/3R/3RPL-AMP/3RPL-AMP_target.pdbqt | data/3R/3RPL-AMP/3RPL-AMP_decoys.pdbqt | data/3R/3RPL-AMP/3RPL-AMP_decoy_scores.csv |
3RN8-RN8 | data/3R/3RN8-RN8/3RN8-RN8_ligand.pdbqt | data/3R/3RN8-RN8/3RN8-RN8_target.pdbqt | data/3R/3RN8-RN8/3RN8-RN8_decoys.pdbqt | data/3R/3RN8-RN8/3RN8-RN8_decoy_scores.csv |
3R7E-X88 | data/3R/3R7E-X88/3R7E-X88_ligand.pdbqt | data/3R/3R7E-X88/3R7E-X88_target.pdbqt | data/3R/3R7E-X88/3R7E-X88_decoys.pdbqt | data/3R/3R7E-X88/3R7E-X88_decoy_scores.csv |
3R03-ADP | data/3R/3R03-ADP/3R03-ADP_ligand.pdbqt | data/3R/3R03-ADP/3R03-ADP_target.pdbqt | data/3R/3R03-ADP/3R03-ADP_decoys.pdbqt | data/3R/3R03-ADP/3R03-ADP_decoy_scores.csv |
3RS2-GNP | data/3R/3RS2-GNP/3RS2-GNP_ligand.pdbqt | data/3R/3RS2-GNP/3RS2-GNP_target.pdbqt | data/3R/3RS2-GNP/3RS2-GNP_decoys.pdbqt | data/3R/3RS2-GNP/3RS2-GNP_decoy_scores.csv |
3R6C-17N | data/3R/3R6C-17N/3R6C-17N_ligand.pdbqt | data/3R/3R6C-17N/3R6C-17N_target.pdbqt | data/3R/3R6C-17N/3R6C-17N_decoys.pdbqt | data/3R/3R6C-17N/3R6C-17N_decoy_scores.csv |
3RS6-XMM | data/3R/3RS6-XMM/3RS6-XMM_ligand.pdbqt | data/3R/3RS6-XMM/3RS6-XMM_target.pdbqt | data/3R/3RS6-XMM/3RS6-XMM_decoys.pdbqt | data/3R/3RS6-XMM/3RS6-XMM_decoy_scores.csv |
3R8L-Z30 | data/3R/3R8L-Z30/3R8L-Z30_ligand.pdbqt | data/3R/3R8L-Z30/3R8L-Z30_target.pdbqt | data/3R/3R8L-Z30/3R8L-Z30_decoys.pdbqt | data/3R/3R8L-Z30/3R8L-Z30_decoy_scores.csv |
3R5X-ATP | data/3R/3R5X-ATP/3R5X-ATP_ligand.pdbqt | data/3R/3R5X-ATP/3R5X-ATP_target.pdbqt | data/3R/3R5X-ATP/3R5X-ATP_decoys.pdbqt | data/3R/3R5X-ATP/3R5X-ATP_decoy_scores.csv |
3RLQ-3RQ | data/3R/3RLQ-3RQ/3RLQ-3RQ_ligand.pdbqt | data/3R/3RLQ-3RQ/3RLQ-3RQ_target.pdbqt | data/3R/3RLQ-3RQ/3RLQ-3RQ_decoys.pdbqt | data/3R/3RLQ-3RQ/3RLQ-3RQ_decoy_scores.csv |
3RFX-NAD | data/3R/3RFX-NAD/3RFX-NAD_ligand.pdbqt | data/3R/3RFX-NAD/3RFX-NAD_target.pdbqt | data/3R/3RFX-NAD/3RFX-NAD_decoys.pdbqt | data/3R/3RFX-NAD/3RFX-NAD_decoy_scores.csv |
3RQL-H4B | data/3R/3RQL-H4B/3RQL-H4B_ligand.pdbqt | data/3R/3RQL-H4B/3RQL-H4B_target.pdbqt | data/3R/3RQL-H4B/3RQL-H4B_decoys.pdbqt | data/3R/3RQL-H4B/3RQL-H4B_decoy_scores.csv |
3RWO-GDP | data/3R/3RWO-GDP/3RWO-GDP_ligand.pdbqt | data/3R/3RWO-GDP/3RWO-GDP_target.pdbqt | data/3R/3RWO-GDP/3RWO-GDP_decoys.pdbqt | data/3R/3RWO-GDP/3RWO-GDP_decoy_scores.csv |
3RXM-SW1 | data/3R/3RXM-SW1/3RXM-SW1_ligand.pdbqt | data/3R/3RXM-SW1/3RXM-SW1_target.pdbqt | data/3R/3RXM-SW1/3RXM-SW1_decoys.pdbqt | data/3R/3RXM-SW1/3RXM-SW1_decoy_scores.csv |
3RQM-H4B | data/3R/3RQM-H4B/3RQM-H4B_ligand.pdbqt | data/3R/3RQM-H4B/3RQM-H4B_target.pdbqt | data/3R/3RQM-H4B/3RQM-H4B_decoys.pdbqt | data/3R/3RQM-H4B/3RQM-H4B_decoy_scores.csv |
3RLV-BMP | data/3R/3RLV-BMP/3RLV-BMP_ligand.pdbqt | data/3R/3RLV-BMP/3RLV-BMP_target.pdbqt | data/3R/3RLV-BMP/3RLV-BMP_decoys.pdbqt | data/3R/3RLV-BMP/3RLV-BMP_decoy_scores.csv |
3R9N-Z68 | data/3R/3R9N-Z68/3R9N-Z68_ligand.pdbqt | data/3R/3R9N-Z68/3R9N-Z68_target.pdbqt | data/3R/3R9N-Z68/3R9N-Z68_decoys.pdbqt | data/3R/3R9N-Z68/3R9N-Z68_decoy_scores.csv |
3RXO-SW2 | data/3R/3RXO-SW2/3RXO-SW2_ligand.pdbqt | data/3R/3RXO-SW2/3RXO-SW2_target.pdbqt | data/3R/3RXO-SW2/3RXO-SW2_decoys.pdbqt | data/3R/3RXO-SW2/3RXO-SW2_decoy_scores.csv |
3RZ3-U94 | data/3R/3RZ3-U94/3RZ3-U94_ligand.pdbqt | data/3R/3RZ3-U94/3RZ3-U94_target.pdbqt | data/3R/3RZ3-U94/3RZ3-U94_decoys.pdbqt | data/3R/3RZ3-U94/3RZ3-U94_decoy_scores.csv |
3R9G-7MC | data/3R/3R9G-7MC/3R9G-7MC_ligand.pdbqt | data/3R/3R9G-7MC/3R9G-7MC_target.pdbqt | data/3R/3R9G-7MC/3R9G-7MC_decoys.pdbqt | data/3R/3R9G-7MC/3R9G-7MC_decoy_scores.csv |
3R44-HIS | data/3R/3R44-HIS/3R44-HIS_ligand.pdbqt | data/3R/3R44-HIS/3R44-HIS_target.pdbqt | data/3R/3R44-HIS/3R44-HIS_decoys.pdbqt | data/3R/3R44-HIS/3R44-HIS_decoy_scores.csv |
3RY8-FLC | data/3R/3RY8-FLC/3RY8-FLC_ligand.pdbqt | data/3R/3RY8-FLC/3RY8-FLC_target.pdbqt | data/3R/3RY8-FLC/3RY8-FLC_decoys.pdbqt | data/3R/3RY8-FLC/3RY8-FLC_decoy_scores.csv |
3R9D-X6B | data/3R/3R9D-X6B/3R9D-X6B_ligand.pdbqt | data/3R/3R9D-X6B/3R9D-X6B_target.pdbqt | data/3R/3R9D-X6B/3R9D-X6B_decoys.pdbqt | data/3R/3R9D-X6B/3R9D-X6B_decoy_scores.csv |
3R3O-THP | data/3R/3R3O-THP/3R3O-THP_ligand.pdbqt | data/3R/3R3O-THP/3R3O-THP_target.pdbqt | data/3R/3R3O-THP/3R3O-THP_decoys.pdbqt | data/3R/3R3O-THP/3R3O-THP_decoy_scores.csv |
3R0I-C0K | data/3R/3R0I-C0K/3R0I-C0K_ligand.pdbqt | data/3R/3R0I-C0K/3R0I-C0K_target.pdbqt | data/3R/3R0I-C0K/3R0I-C0K_decoys.pdbqt | data/3R/3R0I-C0K/3R0I-C0K_decoy_scores.csv |
3RMZ-P6G | data/3R/3RMZ-P6G/3RMZ-P6G_ligand.pdbqt | data/3R/3RMZ-P6G/3RMZ-P6G_target.pdbqt | data/3R/3RMZ-P6G/3RMZ-P6G_decoys.pdbqt | data/3R/3RMZ-P6G/3RMZ-P6G_decoy_scores.csv |
3R58-NPS | data/3R/3R58-NPS/3R58-NPS_ligand.pdbqt | data/3R/3R58-NPS/3R58-NPS_target.pdbqt | data/3R/3R58-NPS/3R58-NPS_decoys.pdbqt | data/3R/3R58-NPS/3R58-NPS_decoy_scores.csv |
3R4P-FU7 | data/3R/3R4P-FU7/3R4P-FU7_ligand.pdbqt | data/3R/3R4P-FU7/3R4P-FU7_target.pdbqt | data/3R/3R4P-FU7/3R4P-FU7_decoys.pdbqt | data/3R/3R4P-FU7/3R4P-FU7_decoy_scores.csv |
3REP-ATP | data/3R/3REP-ATP/3REP-ATP_ligand.pdbqt | data/3R/3REP-ATP/3REP-ATP_target.pdbqt | data/3R/3REP-ATP/3REP-ATP_decoys.pdbqt | data/3R/3REP-ATP/3REP-ATP_decoy_scores.csv |
3RQ0-211 | data/3R/3RQ0-211/3RQ0-211_ligand.pdbqt | data/3R/3RQ0-211/3RQ0-211_target.pdbqt | data/3R/3RQ0-211/3RQ0-211_decoys.pdbqt | data/3R/3RQ0-211/3RQ0-211_decoy_scores.csv |
3R1P-PLM | data/3R/3R1P-PLM/3R1P-PLM_ligand.pdbqt | data/3R/3R1P-PLM/3R1P-PLM_target.pdbqt | data/3R/3R1P-PLM/3R1P-PLM_decoys.pdbqt | data/3R/3R1P-PLM/3R1P-PLM_decoy_scores.csv |
3RQ6-APR | data/3R/3RQ6-APR/3RQ6-APR_ligand.pdbqt | data/3R/3RQ6-APR/3RQ6-APR_target.pdbqt | data/3R/3RQ6-APR/3RQ6-APR_decoys.pdbqt | data/3R/3RQ6-APR/3RQ6-APR_decoy_scores.csv |
3R7O-M61 | data/3R/3R7O-M61/3R7O-M61_ligand.pdbqt | data/3R/3R7O-M61/3R7O-M61_target.pdbqt | data/3R/3R7O-M61/3R7O-M61_decoys.pdbqt | data/3R/3R7O-M61/3R7O-M61_decoy_scores.csv |
3RYY-RYY | data/3R/3RYY-RYY/3RYY-RYY_ligand.pdbqt | data/3R/3RYY-RYY/3RYY-RYY_target.pdbqt | data/3R/3RYY-RYY/3RYY-RYY_decoys.pdbqt | data/3R/3RYY-RYY/3RYY-RYY_decoy_scores.csv |
3RM0-S54 | data/3R/3RM0-S54/3RM0-S54_ligand.pdbqt | data/3R/3RM0-S54/3RM0-S54_target.pdbqt | data/3R/3RM0-S54/3RM0-S54_decoys.pdbqt | data/3R/3RM0-S54/3RM0-S54_decoy_scores.csv |
3RTD-NAI | data/3R/3RTD-NAI/3RTD-NAI_ligand.pdbqt | data/3R/3RTD-NAI/3RTD-NAI_target.pdbqt | data/3R/3RTD-NAI/3RTD-NAI_decoys.pdbqt | data/3R/3RTD-NAI/3RTD-NAI_decoy_scores.csv |
3RUP-ADP | data/3R/3RUP-ADP/3RUP-ADP_ligand.pdbqt | data/3R/3RUP-ADP/3RUP-ADP_target.pdbqt | data/3R/3RUP-ADP/3RUP-ADP_decoys.pdbqt | data/3R/3RUP-ADP/3RUP-ADP_decoy_scores.csv |
3RUC-UD2 | data/3R/3RUC-UD2/3RUC-UD2_ligand.pdbqt | data/3R/3RUC-UD2/3RUC-UD2_target.pdbqt | data/3R/3RUC-UD2/3RUC-UD2_decoys.pdbqt | data/3R/3RUC-UD2/3RUC-UD2_decoy_scores.csv |
3RU1-3RU | data/3R/3RU1-3RU/3RU1-3RU_ligand.pdbqt | data/3R/3RU1-3RU/3RU1-3RU_target.pdbqt | data/3R/3RU1-3RU/3RU1-3RU_decoys.pdbqt | data/3R/3RU1-3RU/3RU1-3RU_decoy_scores.csv |
3RWP-ABQ | data/3R/3RWP-ABQ/3RWP-ABQ_ligand.pdbqt | data/3R/3RWP-ABQ/3RWP-ABQ_target.pdbqt | data/3R/3RWP-ABQ/3RWP-ABQ_decoys.pdbqt | data/3R/3RWP-ABQ/3RWP-ABQ_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.