Hongchao Ji

How to apply adjustText in QT?

1

Hi, I m trying to apply adjustText in plot of my GUI program. Here is the code snippet my plot function. It do not run correctly as it runs in...

SWATH: Is there any way to extract fragment ion traces?

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I found reconstructChromPeakSpectra function in xcms. Is there any way to obtain the extracted ion traces of the fragment ions? Similar to the xcms::getEIC function for MS1?

Hi, Nice work! I successfully trained with my own data, but how can I save the model? Ji

Is the Gaussian process for optimization of molecules included in the repository?

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Hi, I have read your paper and think it is a wonderful work. In your paper, it referred a Gaussian process can be used in the latent space for optimizing...

Is MolecularFormulaGenerator function included ? and How to use it ?

Need the input chemical reaction santisfy atomic conservation?

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Hi, GOOD Work! I m trying to extract reaction templates of other chemical reactions via your code. The chemical reactions were atom mapped, but not santisfy atomic conservation. Can it...