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The parent ticket about retrosynthetic arrows - [#2017 Support retrosynthetic arrows](https://github.com/epam/Indigo/issues/2071)
Implement Import/Export retrosynthetic arrows into CDXML/CDX format…
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Thank you for providing this nice library!
We have tried for quite some time to get the retrosynthesis example to work with a simple SMILES string but have failed terribly. Could you maybe help out b…
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Dear authors,
Thanks for releasing your code. Regarding the top-20, and top-50 results in the Readme file, can you tell how did you obtain this?
![image](https://github.com/otori-bird/retrosynth…
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> To plan the syntheses of small organic molecules, chemists use retrosynthesis, a problem-solving technique in which target molecules are recursively transformed into increasingly simpler precursors.…
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We are currently using an outdated version of ASKCOS on an internal network on RHEL7. We've installed relevant dependencies and pip modules manually and have the server working and displaying a home p…
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Hi there,
I was trying to run the model. After trying:
```
$ python transformer.py --predict uspto-50k/patents_test100.csv.can --model models/base-retrosynthesis.h5
```
I got “list index out of r…
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Hi,
Nice project.
I've got quite a simple rule I'd like to apply which has no chirality specified.
`[#6:4][#8:6][#6:2](=[O:3])[#6:1] >> [#6:4][#6:2](=[O:3])[#6:1]`
This works fine in m…
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When I ran the code below(same as the demo in retrosynthesis tutorial)
```import torch
from torchdrug import data, datasets, utils
from torchdrug.utils import plot
from torchdrug import core, m…
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Based on discussions from gitter https://gitter.im/usegalaxy-eu/Lobby @praveenkumarpgiindia
Does Galaxy have a tool to predict the synthetic reaction of drugs? Or to evaluate between different sy…
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https://arxiv.org/pdf/1708.04202.pdf
Monte Carlo Tree Search to discovery Synthetic Routes. Was published in Nature today.
We already have a start with MCTS class. This is a very interesting p…