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lines changed Original file line number Diff line number Diff line change @@ -113,7 +113,7 @@ assert valid_mol_eval(valid_completion_smiles, partial_smiles)
113113
114114### Visualization
115115
116- If it helps, you can visualize the molecules:
116+ If it helps, you can visualize molecules:
117117
118118``` python
119119from ether0.data import draw_molecule
@@ -134,6 +134,19 @@ or in your terminal via `chafa valid_molecule.svg`
134134
135135![ valid molecule] ( docs/assets/valid_molecule.svg )
136136
137+ Similarly, one can visualize reactions:
138+
139+ ``` python
140+ from ether0.data import draw_reaction
141+
142+ # Source: ether0-benchmark's test split's question 41251b01-7291-56a0-9030-ea51bab03a4c
143+ rxn_smiles = " CC1CNCC1c1nc2c(cnn2C(C)C)c(=O)[nH]1.COc1ccc(C=O)cn1>>"
144+
145+ rxn_text = draw_reaction(rxn_smiles)
146+ with open (" reaction.svg" , " w" ) as f:
147+ f.write(rxn_text)
148+ ```
149+
137150### Benchmark
138151
139152Here is a sample baseline of
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