Comments (3)
HarreyJia
commented on August 15, 2024
Thank you SO much! I have been stuck in the error for a long time.
However, I still want to know whether something different would happen in the later judgement if I changed the code.
from hgraph2graph.
purplerainf
commented on August 15, 2024
Hi, I think I had the same issue. The error message I've got was
"rdkit.Chem.rdchem.KekulizeException: Can't kekulize mol. Unkekulized atoms: 5 6 7 8 9 10 18 26 27"
Nokimann's suggestion works for me as well, but it would be great if the author or others confirm it.
from hgraph2graph.
marshallcase
commented on August 15, 2024
Just had the same issue as @purplerainf and @Nokimann's suggestion seemed to fix the issue. Thanks!
from hgraph2graph.
Related Issues (20)
- Question Polymer Data
- Question about constraint optimization
- All assm_labels are zero?
- how to convert the chembl checkpoint kept file to an binary format
- PicklingError("Can't pickle <class 'Boost.Python.ArgumentError'>: import of module 'Boost.Python failed")' HOT 7
- README error HOT 7
- Unrecognized arguments: --nsamples 1000 HOT 1
- IndexError: tuple index out of range HOT 12
- Getting error while running pip install . HOT 3
- TypeError: can't convert cuda:0 device type tensor to numpy. Use Tensor.cpu() to copy the tensor to host memory first HOT 2
- TypeError: forward() missing 2 required positional arguments: 'y_orders' and 'beta' HOT 2
- AssertionError HOT 12
- Pretrained chembl model requires old rdkit HOT 2
- Some motifs in generated vocabulary are not parseable for rdkit
- Finetune result interpretation
- vocab size of data/chembl/vocab.txt: 5623, but when get_vocab.py the new vocab.txt is 5625 HOT 3
- ZeroDivisionError when size smaller than 1000 using single mode
- If anyone has done fine tuning, please share environment.yaml HOT 1
- Preprocess Error————————Broken pipe
- size mismatch when load chembl-pretrained ckpt
Recommend Projects
-
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
-
Vue.js
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
-
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
-
TensorFlow
An Open Source Machine Learning Framework for Everyone
-
Django
The Web framework for perfectionists with deadlines.
-
Laravel
A PHP framework for web artisans
-
D3
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
-
Recommend Topics
-
javascript
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
-
web
Some thing interesting about web. New door for the world.
-
server
A server is a program made to process requests and deliver data to clients.
-
Machine learning
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
-
Visualization
Some thing interesting about visualization, use data art
-
Game
Some thing interesting about game, make everyone happy.
Recommend Org
-
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
-
Microsoft
Open source projects and samples from Microsoft.
-
Google
Google ❤️ Open Source for everyone.
-
Alibaba
Alibaba Open Source for everyone
-
D3
Data-Driven Documents codes.
-
Tencent
China tencent open source team.
from hgraph2graph.