zjunlp
/

MolGen-large

Text2Text Generation

molecular language model

molecule generation

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ZJU-Fangyin commited on Feb 1, 2023

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@@ -34,7 +34,11 @@ Molecule generation example:
                               num_beams=5,
                               past_prompt=None)
 >>> sf_output = [tokenizer.decode(g, skip_special_tokens=True, clean_up_tokenization_spaces=True).replace(" ","") for g in molecules]
-['[C][=C][C][=C][C][=C][Ring1][=Branch1]', '[C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]', '[C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C]', '[C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][=C][C]', '[C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][=C][C][=C]']
 ```

                               num_beams=5,
                               past_prompt=None)
 >>> sf_output = [tokenizer.decode(g, skip_special_tokens=True, clean_up_tokenization_spaces=True).replace(" ","") for g in molecules]
+['[C][=C][C][=C][C][=C][Ring1][=Branch1]',
+'[C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]',
+'[C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C]',
+'[C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][=C][C]',
+'[C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][=C][C][=C]']
 ```