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The following compounds have been sent off for potency evaluation, and results will be updated when we get them back.
MMV Number | SMILES | InChI | InChI Key
-- | -- | -- | --
MMV1803…
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Hi.
I'm trying to compare to some of the results in your work, but it's not clear to me which datasets were use for Table 1 and Table 2.
The Datasets A file contains 108 datasets, and the Datasets B…
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Hi,
I came across your code while searching for h2o projects and I took a look at [fnc-deeplrn.R](https://github.com/meta-QSAR/rmetaqsar/blob/master/fnc-deeplrn.R). I wanted to let you know that you…
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- I opened a PR for that https://github.com/CDK-R/cdkr/pull/120
- The descriptors are:
- CPSADescriptor (geometrical)
- GravitationalIndexDescriptor (geometrical)
- IPMolecularLearningDescri…
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Actually highest # runs is 1 but trying to see that run is impossible. Supervised regression is my primary focus. Is there something I should know?
https://www.openml.org/t/100981#!taskruns
https://…
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# :wave: Welcome to GitHub Learning Lab's "Introduction to GitHub"
To get started, I’ll guide you through some important first steps in coding and collaborating on GitHub.
:point_down: _This arrow m…
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### Introduction to GitHub flow
Now that you're familiar with issues, let's use this issue to track your path to your first contribution.
People use different workflows to contribute to software pro…
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Hi, a few of us at UCL CS (and further afield) have a WIP submission; I realize we're getting down to the wire and we're having a bit of a challenge finishing this this off so I wanted to share our pr…
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Hi!
Currently, it is not possible to use CDK in modular (i.e., Java 9+ style) Java apps. The reason is
- CDK jars don't contain module-info class, therefore when used as dependencies they are treate…