ZJU-Fangyin
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Update README.md
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README.md
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@@ -26,7 +26,13 @@ Molecule generation example:
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>>> sf_input = tokenizer("[C][=C][C][=C][C][=C][Ring1][=Branch1]", return_tensors="pt")
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>>> # beam search
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>>> molecules = model.generate(input_ids=sf_input["input_ids"],
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>>> sf_output = [tokenizer.decode(g, skip_special_tokens=True, clean_up_tokenization_spaces=True).replace(" ","") for g in molecules]
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['[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@H1][C][=C][C][=C][C][=C][Ring1][=Branch1]', '[C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]', '[C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][=C][C][=C][Ring1][=Branch1]']
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```
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>>> sf_input = tokenizer("[C][=C][C][=C][C][=C][Ring1][=Branch1]", return_tensors="pt")
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>>> # beam search
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>>> molecules = model.generate(input_ids=sf_input["input_ids"],
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attention_mask=sf_input["attention_mask"],
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max_length=20,
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min_length=5,
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num_return_sequences=5,
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num_beams=5,
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past_prompt=None)
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>>> sf_output = [tokenizer.decode(g, skip_special_tokens=True, clean_up_tokenization_spaces=True).replace(" ","") for g in molecules]
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['[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@H1][C][=C][C][=C][C][=C][Ring1][=Branch1]', '[C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]', '[C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][=C][C][=C][Ring1][=Branch1]']
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```
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