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## 🐛 Bug
Loading a molnet dataset such as `dc.molnet.load_zinc15()` with the `MolGraphConvFeaturizer` fails when attempting to convert a sample into a pytorch geometric graph using `.to_pyg_graph()…
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Hi,
I would like to generate embeddings from the pretrained model. I follow the instructions in the readme file, but it report weights not initialized and get stuck at this stage. How do I solve th…
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The Translator UI is supposed to be able to handle more kinds of "references" (publications) for an edge - not just the PMIDs we provide in the `biolink:publications` edge-attribute right now. [In Tra…
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### Week 1 - Get to know the community
- [X] Join the communication channels
- [X] Open a GitHub issue (this one!)
- [X] Install the Ersilia Model Hub and test the simplest model
- [X] Write a motiva…
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Assuming I have downloaded the `box` folder with the `data`, `tokenizers`, and `trained_model` folders, could you please provide an example of how to run evaluation on `box/data/qed/chembl_selfies_eva…
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Create table for words and nouns. Query it when generating usernames
Reference: https://stackoverflow.com/questions/8674718/best-way-to-select-random-rows-postgresql
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Hello! I've found that the size of QM9 dataset(133246) downloaded from PyG's url is not consistent with MoleculeNet(133885).
Could you provide the 133885-molecule version of processed torch data? I…
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### Is there an existing issue for this?
- [X] I have searched the existing issues and found nothing
### Bug description
Error when mols passed to a MoleculeTransformer are in a DataFrame.
from …
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Scaffolding splitting of BBBP dataset throws a ValueError.
Steps to reproduct:
```py
import deepchem as dc
tasks, dataset, transformer = dc.molnet.load_bbbp(featurizer=dc.feat.DummyFeaturizer(),
…
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### Code snippet and error
```py
import deepchem as dc
task, dataset, transformers = dc.molnet.load_bbbp(featurizer=dc.feat.DummyFeaturizer())
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