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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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fepplus
/
fep_benchmark_inputs
/
structure_inputs
/
jacs_set
5.11 MB
1 contributor
History:
1 commit
WuKL666
Add FEPPlus benchmark and all pocket pdbs
0f8bca2
3 months ago
bace_edges.csv
2.01 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
bace_ligands.sdf
123 kB
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3 months ago
bace_protein.pdb
714 kB
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3 months ago
cdk2_edges.csv
674 Bytes
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3 months ago
cdk2_ligands.sdf
59 kB
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Add FEPPlus benchmark and all pocket pdbs
3 months ago
cdk2_protein.pdb
809 kB
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Add FEPPlus benchmark and all pocket pdbs
3 months ago
jnk1_manual_flips_edges.csv
2.17 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
jnk1_manual_flips_ligands.sdf
127 kB
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3 months ago
jnk1_manual_flips_protein.pdb
538 kB
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3 months ago
mcl1_extra_flips_edges.csv
4.03 kB
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3 months ago
mcl1_extra_flips_ligands.sdf
227 kB
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Add FEPPlus benchmark and all pocket pdbs
3 months ago
mcl1_extra_flips_protein.pdb
208 kB
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3 months ago
p38_edges.csv
1.51 kB
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3 months ago
p38_ligands.sdf
122 kB
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3 months ago
p38_protein.pdb
560 kB
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3 months ago
ptp1b_edges.csv
1.49 kB
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3 months ago
ptp1b_ligands.sdf
80.5 kB
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3 months ago
ptp1b_protein.pdb
457 kB
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3 months ago
subset_metadata.csv
731 Bytes
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3 months ago
thrombin_core_edges.csv
386 Bytes
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3 months ago
thrombin_core_ligands.sdf
43.9 kB
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3 months ago
thrombin_core_protein.pdb
435 kB
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3 months ago
tyk2_edges.csv
831 Bytes
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3 months ago
tyk2_ligands.sdf
44.6 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
tyk2_protein.pdb
543 kB
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Add FEPPlus benchmark and all pocket pdbs
3 months ago
