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Benchmarks
Ligand discovery on 100 Proteins Average Top-10 endpoint
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21
MLT Score (PIC 7.0)
Random
16.84
17.92
19
20.08
May 6, 2026
MLT Score (PIC 7.0)
MLT Score (PIC 7.5)
MLT Score (PIC 8.0)
MLT Score (PIC 8.5)
MLT Score (PIC 9.0)
Updated 26d ago
Evaluation Results
Method
Method
Links
MLT Score (PIC 7.0)
MLT Score (PIC 7.5)
MLT Score (PIC 8.0)
MLT Score (PIC 8.5)
MLT Score (PIC 9.0)
Random
2026.05
21
35
76
215
397
XGBoost
2026.05
21
33
55
104
249
XGBRegressor
2026.05
18
27
46
103
265
TabPFN
2026.05
18
26
48
122
276
GP-EI
2026.05
18
27
44
92
228
MLP
2026.05
17
25
45
108
288
TabM
2026.05
17
27
59
141
294
GP-M
2026.05
17
27
53
136
290
GP-UCB
2026.05
17
28
51
126
277
GP-PI
2026.05
17
25
41
99
251
SPADE
2026.05
17
24
40
92
257
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