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https://mp.weixin.qq.com/s/WnmGYWB2QolLcfJyIALqmw
ixxmu updated
2 years ago
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HI,
I am trying to get RDkit to work in order to use it for my QSAR models at work. I successfully installed RDkit and activate my environment on my conda through the following command on my Python 3…
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Recently, 4 datasets from study 269 and 270 appear to no longer have their ARFF files available, causing them to error when benchmarked.
These datasets are:
Airlines_DepDelay_10M
KDDCup99
QSAR…
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Downloading the datasplits for task 13854 and 14097 gives an error: `failed to perform action generate_folds. Evaluation Engine result send to EMAIL_API_LOG account.`
Direct link to splits file: [lin…
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Hello, I think there might be a bug for the transform function in MoleculeNet dataset. See below:
```from torch_geometric.datasets import MoleculeNet, Planetoid
from torch_geometric.transforms imp…
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I have simulated human hepatic clearance value in OPERA with the following unit (0.17ml / min / 10e6 Cell),
Can you please help me to convert this unit to (ml / min / kg) so that I can use in PKsim.…
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Hi, thank you very much for sharing your great work.
I have a question about [admet datasets](https://github.com/globus-labs/toxicity-prediction/tree/master/admet/datasets).
There are 4 CSV file…
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Hey! I am facing the following error related to the QSAR toolbox server when I am trying to predict the chemical using vega add ins v 1.0.3 as well as v 1.0.5. I have installed all the prerequisites l…
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### Basic information
* My operating system:
OS Name: Microsoft Windows 11 Education Insider Preview
OS Version: 10.0.22483 N/A Build 22483
* My MZmine version…
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Prepare Navigator page for methods similarly as for membranes -
Major division:
- Experimental
- Computed
- Simulated