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I tried to custom a metric following the steps on yardstick here: https://yardstick.tidymodels.org/articles/custom-metrics.html, but unfortunately I failed to find a solution for my problem.
``` r
…
ghost updated
3 years ago
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**Describe the bug**
The solubility of a triacetic acid lactone in water, calculated through SLE, first decreases and then increases with increase in temperature. Additionally, the changes in solubi…
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Meeting 31/7/20 at 2pm UK time at https://ucl.zoom.us/j/92800004715. This page follows on from #22.
Recording is [here](https://youtu.be/LPcbZEa6njs). On the call: me, @danaklug, @edwintse (we didn…
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We've been trying to decide on a name for this tool. It's really outgrown "MagmaSatPlus". Simon suggested vesical, and I've bought into VESIcal (Volatile Equilibration and Saturation Identification ca…
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Is it possible to build a model just from the IV and PO C-T curve without knowing the physiochemical properties of the drug, such as LogP, solubility and permeability?
jzq90 updated
4 years ago
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HI!
I am trying to use the `predict_on_batch` function inside the TextCNNModel to predict the solubility for new smiles; however, I get a `TypeError: object of type 'int' has no len()`. I have copied…
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**Description:**
- DeepChem Version:
- Platform:
```
Your code sample here
```
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From what I understand, this is a thermodynamic solubility assay - should be much more interesting than Delaney.
https://www.ebi.ac.uk/chembl/assay/inspect/CHEMBL3301364
If there's interest, i'm…
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Hi, Walters!
Thanks for this job! I understand the Graph-based methods are usually easy to be over-fitting, So currently all of these methods are not really better than the transitional linear regres…
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Can we use a pre-trained model or do transfer learning?