-
Dear everyone,
I have install torchdrug correctly, and then follow the tutorial [https://torchdrug.ai/docs/tutorials/retrosynthesis.html](url)
When I run the code as below:
```javascript
from …
-
Running the retrosynthesis tutorial, the following error occurred
```python
import torchdrug
print(torchdrug.__version__)
```
0.1.0
```python
from torchdrug import datasets
reaction_datase…
-
Hi,
Thank you for having shared AiZynthFinder.
I am working on Linux Centos 7.
I tested the GUI application, it works.
However, if I launch the batch mode from a console (see below), many errors…
-
Hello, thanks a lot for sharing your project! It has really been of great help!
I am not sure whether this is the right place to ask this question but I am having issues with processing molecules f…
-
Hi,
My name is Pascal KREZEL and I am testing AiZynthFinder presently.
It is a **very** interesting tool. Thank you for having shared it.
To improve it, I show you the following strange result:
…
-
I have two questions concerning the availability pricing threshold for retrosynthesis:
1. I notice in the GUI that the units are USD per "mg/mL".
![image](https://user-images.githubusercontent.co…
-
I've found an interesting project named [DeepChem](https://deepchem.io) that also seems [interested in retrosynthesis](https://github.com/deepchem/deepchem/issues/1198). I think that some sort of coll…
-
I have a doubt whether the terms of use for the MIT license would be in conflict with the terms of use for the system available on the website https://rxn.res.ibm.com/, since the library is a wrapper …
-
Hi! After playing around with aizynthfinder, I have detected some issues regarding the application of the reaction templates, mainly among those defined as "selective" in your publication "Datasets an…
-
Hello!
I'm trying to run `plan.py` script (I've taken all the steps from [readme.md](https://github.com/frnsys/retrosynthesis_planner/blob/1a53fe81e5c250999b70144a16f93cf901dd0bb4/readme.md)), but ge…