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Benchmarks
Molecule generation on 3k unseen pairs (test)
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0.72
BLEU
DPO
0.0128
0.1964
0.38
0.5636
May 22, 2024
BLEU
Levenshtein Distance
MACCS FTS
RDK FTS
Morgan FTS
FCD
Validity
Updated 4d ago
Evaluation Results
Method
Method
Links
BLEU
Levenshtein Distance
MACCS FTS
RDK FTS
Morgan FTS
FCD
Validity
DPO
Alignment=Direct Prefe...
2024.05
0.72
42.4
0.77
0.69
0.49
10.47
99
CPO
Alignment=Contrastive...
2024.05
0.71
42.65
0.77
0.7
0.48
4.19
100
Meditron
Alignment=Pre-trained
2024.05
0.43
66.16
0.35
0.29
0.19
13.64
57
SFT
Alignment=Supervised F...
2024.05
0.3
186.99
0.7
0.62
0.41
11.14
98
KTO
Alignment=Kahneman-Tve...
2024.05
0.23
294.63
0.03
0.03
0.02
32.64
6
TxtChem-T5
Alignment=Pre-trained
2024.05
0.18
133.29
0.21
0.1
0.03
37.67
58
Chem-LLM
Alignment=Pre-trained
2024.05
0.04
732.74
0
0
0
59.44
19
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