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I have been reading the code to understand how you implemented impurity prediction. While thinking about the predictor method, I realized that WLN has been used to generate products for the given reac…
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I appreciate your nice work on retrosynthesis. However, I get a RuntimeError message on running train.py when I tried to start from preprocessing the USPTO-50k_no_rxn_dataset. (torchtext 0.4.0, pytorc…
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Hi, I have build a pipline with your guideline in Retrosynthesis Moudle. It works well on default dataset. But when I tried to test it on my own smiles, there was something wrong with it. To be specif…
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hello, folks:
when cleaning reaction smiles, could you help answer why need to remove reactions whose products are greater than 1?
could you explain more about this limitation? My understanding is t…
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I experience an issue with `restTemplate.postForEntity(String,Object,Class)` with Object of type `MultiValueMap`.
Here is a code snippet to demonstrate what I am doing:
```
public Result postWi…
uli-f updated
4 months ago
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Hi,
I currently use the python api to request products and confidence using:
results['response']['payload']['attempts'][0]['smiles'] and
results['response']['payload']['attempts'][0]['confidence'…
grd36 updated
9 months ago
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Nice work!
I have some problems of the metrics used in the table1, especially about the task of text2text(paragraph-actions).
You have mentioned that “For the forward prediction task the metric is a…
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I am not sure how to make the pipeline works. (Step 3)
I get an error on the usage of rxnmapper conda environment. I tried installing rxnutils with varoius ways but it didn't work.
I have followed…
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Hello, thanks for this amazing work!
I wanted to know how is top-k accuracy calculated if a (retrosynthesis) template application produces more than one set of reactants? For example, a Suzuki reac…
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sorry to bother you guys with a naive issue.
After downloading the models via dowload_public_data.py, the config.yml was generated successfully.
```
policy:
files:
uspto:
- D:\Ch…