Update README.md
Browse files
README.md
CHANGED
@@ -68,6 +68,16 @@ python train.py \
|
|
68 |
### Results
|
69 |
|
70 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
71 |
|
72 |
## Citation [optional]
|
73 |
|
|
|
68 |
### Results
|
69 |
|
70 |
|
71 |
+
| Model | Training set | Test set | Top-1 [% acc.] | Top-2 [% acc.] | Top-3 [% acc.] | Top-5 [% acc.] |
|
72 |
+
|----------------------|---------------------------|----------|----------------|----------------|----------------|----------------|
|
73 |
+
| Sequence-to-sequence | USPTO | USPTO | 80.3 | 84.7 | 86.2 | 87.5 |
|
74 |
+
| WLDN | USPTO | USPTO | 80.6 (85.6) | 90.5 | 92.8 | 93.4 |
|
75 |
+
| Molecular Transformer| USPTO | USPTO | 88.8 | 92.6 | – | 94.4 |
|
76 |
+
| T5Chem | USPTO | USPTO | 90.4 | 94.2 | – | 96.4 |
|
77 |
+
| CompoundT5 | USPTO | USPTO | 88.0 | 92.4 | 93.9 | 95.0 |
|
78 |
+
| ReactionT5 | ORD | USPTO | 0.0 <85.0> | 0.0 <90.6> | 0.0 <92.3> | 0.0 <93.8> |
|
79 |
+
|
80 |
+
Performance comparison of Compound T5, ReactionT5, and other models in product prediction. The values enclosed in ‘<>’ in the table represent the scores of the model that was fine-tuned on 200 reactions from the USPTO dataset. The score enclosed in ‘()’ is the one reported in the original paper.
|
81 |
|
82 |
## Citation [optional]
|
83 |
|