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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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Data Studio
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xet
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fepplus
/
fep_benchmark_inputs
/
structure_inputs
/
scaffold_hopping
3.37 MB
1 contributor
History:
1 commit
WuKL666
Add FEPPlus benchmark and all pocket pdbs
0f8bca2
3 months ago
Bace1_4zsp_edges.csv
105 Bytes
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
Bace1_4zsp_ligands.sdf
9.36 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
Bace1_4zsp_protein.pdb
497 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
CHK1_3u9n_corehop_edges.csv
234 Bytes
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
CHK1_3u9n_corehop_ligands.sdf
19.8 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
CHK1_3u9n_corehop_protein.pdb
390 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
EZH2_5ij7_corehop_edges.csv
90 Bytes
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
EZH2_5ij7_corehop_ligands.sdf
16 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
EZH2_5ij7_corehop_protein.pdb
1.24 MB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
Era_2q70_edges.csv
186 Bytes
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
Era_2q70_ligands.sdf
12.5 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
Era_2q70_protein.pdb
351 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
Fxa_2ei8_edges.csv
122 Bytes
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
Fxa_2ei8_ligands.sdf
15.5 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
Fxa_2ei8_protein.pdb
446 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
TPSB2_3v7t_edges.csv
55 Bytes
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
TPSB2_3v7t_ligands.sdf
8.47 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
TPSB2_3v7t_protein.pdb
361 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
subset_metadata.csv
734 Bytes
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
