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I have noticed the word "precursor " has occured in the parameter explanation of the retrosynthesis function. e.g. pricing: pricing of the precursors, exclude smiles: smiles of precursor to be exclude…
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Hi, I was trying to use the model, and I got this error. Could you please help me find out the problem? Thanks!
my code:
api_key = 'my api'
from rxn4chemistry import RXN4ChemistryWrapper
rxn4c…
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Hello,
Thanks for sharing this library! The reproduced center-identification results of[ G2Gs](https://arxiv.org/pdf/2003.12725.pdf) are different from the paper.
```
reaction class known 90.2
r…
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I did a fine tuning of the pre-trained model with mixed data in USPTO_500_MT. I then used the tuned model to make predictions on the Reactants in USPTO_500_MT. The results showed that Top-1 is 19%, To…
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Hi, I'm trying to reinstall planemo this way but it fails:
```
root@fc64b8caa435:/galaxy# python3 -m venv planemo
root@fc64b8caa435:/galaxy# . planemo/bin/activate
(planemo) root@fc64b8caa435:/g…
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I have installed and run this tool with jupyter notebook.
How can I train own data set(SMILES)?
Although I have go through documentation [ https://molecularai.github.io/aizynthfinder/training.htm…
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When I perform Retrosynthesis prediction operation, the status output is always "NEW",
something is wrong?
examples:
the results is "{'retrosynthetic_paths': [], 'status': 'NEW', 'response' ..."
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**Submitting author:** @AlexBuccheri (Alexander Buccheri)
**Repository:** https://github.com/exciting/excitingtools
**Branch with paper.md** (empty if default branch):
**Version:** v1.3.0
**Editor:**…
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Hi! I just wanted to ask if the retrosynthesis experiments include the reagents or not.
Thank you already!
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