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### Model Name
SmilesPE: tokenizer algorithm for SMILES, DeepSMILES, and SELFIES
### Model Description
The Smiles Pair Encoding method generates smiles substring tokens based on high-frequenc…
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When I entered the following example command: ` drugex generate -b ${BASE_DIR} -i arl_test_graph.txt -g arl_graph_trans_RL -gpu 0 ` I encountered the following error:
```
raise ValueError('Evaluat…
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### Model Name
Drug-induced liver injury prediction
### Model Description
Prediction of clinically relevant drug-induced-liver-injury (DILI), based solely on drug structure using binary classi…
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Hello (:
I gave the new version a brief try by using doc.elements on the following elsevier publication:
https://doi.org/10.1016/j.chemosphere.2014.05.068
In the direct comparison of version …
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Hello Lin WANG and Hao Yang,
I am struggling making AutoMD to work with our installation of Schrodinger. Are you able to assist me in successfully installing it ?
kind regards,
Niki
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### Model Name
Molecular Prediction Model Fine-Tuning (MolPMoFiT)
### Model Description
Using self-supervised learning, the authors pre-trained a large model using one millon unlabelled molecules f…
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Identify a workflow for integrating EDAM into OC. The workflow should be documented and minimize manual operations.
> [!WARNING]
> The [EDAM browser](https://bioportal.bioontology.org/ontologies…
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### Model Name
Antituberculosis activity prediction
### Model Description
Prediction of the activity of small molecules against Mycobacterium tuberculosis. This model has been developed by Ersilia …
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https://github.com/cdk/cdk/actions/runs/8958298656/job/24602378247
```
[INFO] Scanning for projects...
Warning:
Warning: Some problems were encountered while building the effective model for or…
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Just installed lazyqsar in a new system and I got stuck at this error reported here: https://github.com/microsoft/FLAML/issues/1193
We need to add the [automl] flag to FLAML -- seems we will have t…