-
Hello,
I am running into an error when trying to run the example code that you provide in the ReadMe (I am using a brand new api-key from IBM RXN, not included in the code below):
`from rxn4chemist…
-
The model throws the error "RuntimeError: CUDA error: device-side assertion fired" (graph2seq_series_rel.py
,line 125, in forward, memory_lengths=memory_lengths) when I run reaction prediction, not …
-
FileNotFoundError Traceback (most recent call last)
in ()
1 args = {'data_dir': data_dir, 'model_path': model_path, 'config_path': config_path, 'device': device}
----> 2 model, graph_function, atom…
-
Hi,
After I extract a retrosynthesis template from a specific reaction, I use the product of this reaction and the rdchiralRun func to see if it can create the correct reactants of the reaction. But …
-
A guy contacted me because Retrosynthesis workflow on galaxy-synbiocad.org failed on the last step (Complete Reactions).
After reproducing locally with CLI, the message was:
`Error encountered t…
-
When I repeat the Synthon Completion part of Retrosynthesis tutorial in https://torchdrug.ai/docs/tutorials/retrosynthesis.html, run code on Windows operating system, it shows errors as follows:
``…
-
Minimal example:
```
import logging
import sys
logging.basicConfig(level=logging.INFO, format='%(name)s - %(levelname)s - %(message)s', stream=sys.stderr)
import rxn4chemistry as rxn
api_k…
ghost updated
2 years ago
-
Hello,
After reading the paper "Artificial applicability labels for improving policies in retrosynthesis prediction", I am wondering if you could provide the filter policy to help speed up the search…
-
-
**Current situation**: I can load data for retrosynthesis with both reactants and product:
```
from tdc.generation import RetroSyn
data = RetroSyn(name = 'USPTO-50K')
```
I can also load the …
hogru updated
2 years ago