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Datasets:
THU-ATOM
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fepplus
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Tsinghua AI-driven TransfOrmative Medicine Lab
14
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xet
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fepplus
/
fep_benchmark_inputs
/
structure_inputs
/
macrocycles
2.91 MB
1 contributor
History:
1 commit
WuKL666
Add FEPPlus benchmark and all pocket pdbs
0f8bca2
2 months ago
2B8V_lig24and25_alpha05_edges.csv
60 Bytes
xet
Add FEPPlus benchmark and all pocket pdbs
2 months ago
2B8V_lig24and25_alpha05_ligands.sdf
8.42 kB
xet
Add FEPPlus benchmark and all pocket pdbs
2 months ago
2B8V_lig24and25_alpha05_protein.pdb
536 kB
xet
Add FEPPlus benchmark and all pocket pdbs
2 months ago
2E9P_lig4to7_alpha05_edges.csv
223 Bytes
xet
Add FEPPlus benchmark and all pocket pdbs
2 months ago
2E9P_lig4to7_alpha05_ligands.sdf
12.5 kB
xet
Add FEPPlus benchmark and all pocket pdbs
2 months ago
2E9P_lig4to7_alpha05_protein.pdb
392 kB
xet
Add FEPPlus benchmark and all pocket pdbs
2 months ago
2Q15_lig17to21_alpha05_edges.csv
360 Bytes
xet
Add FEPPlus benchmark and all pocket pdbs
2 months ago
2Q15_lig17to21_alpha05_ligands.sdf
35.3 kB
xet
Add FEPPlus benchmark and all pocket pdbs
2 months ago
2Q15_lig17to21_alpha05_protein.pdb
484 kB
xet
Add FEPPlus benchmark and all pocket pdbs
2 months ago
3RKZ_lig62to70_alpha05_edges.csv
386 Bytes
xet
Add FEPPlus benchmark and all pocket pdbs
2 months ago
3RKZ_lig62to70_alpha05_ligands.sdf
35.6 kB
xet
Add FEPPlus benchmark and all pocket pdbs
2 months ago
3RKZ_lig62to70_alpha05_protein.pdb
270 kB
xet
Add FEPPlus benchmark and all pocket pdbs
2 months ago
MHT1_lig3_alpha05_edges.csv
156 Bytes
xet
Add FEPPlus benchmark and all pocket pdbs
2 months ago
MHT1_lig3_alpha05_ligands.sdf
9.63 kB
xet
Add FEPPlus benchmark and all pocket pdbs
2 months ago
MHT1_lig3_alpha05_protein.pdb
230 kB
xet
Add FEPPlus benchmark and all pocket pdbs
2 months ago
ck2_custcore_hotlys_edges.csv
73 Bytes
xet
Add FEPPlus benchmark and all pocket pdbs
2 months ago
ck2_custcore_hotlys_ligands.sdf
6.79 kB
xet
Add FEPPlus benchmark and all pocket pdbs
2 months ago
ck2_custcore_hotlys_protein.pdb
489 kB
xet
Add FEPPlus benchmark and all pocket pdbs
2 months ago
hsp90_3hvd_custcore_edges.csv
632 Bytes
xet
Add FEPPlus benchmark and all pocket pdbs
2 months ago
hsp90_3hvd_custcore_ligands.sdf
36.6 kB
xet
Add FEPPlus benchmark and all pocket pdbs
2 months ago
hsp90_3hvd_custcore_protein.pdb
364 kB
xet
Add FEPPlus benchmark and all pocket pdbs
2 months ago
subset_metadata.csv
803 Bytes
xet
Add FEPPlus benchmark and all pocket pdbs
2 months ago
