Retip
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oloBion
Retip - Retention Time prediction for metabolomics
Hi, I was running Retip again yesterday. The fit.lightgbm() function error was showed again. I am wondering if you can reset parameter in the function. Thanks. > lightgbm
Hi, I wanted to try the Retip package, but running your example it made R crash when it wants to compute the chemical descriptors. In Rstudio I get this output:...
Hi! Somehow this smile does not work in retip: "C1CN(CCN1CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO" getRT.smile("C1CN(CCN1CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO",training,model=xgb) Error in eval.desc(mol, descNames) : molecule must be an IAtomContainer In addition: Warning message: In parse.smiles(smile) : 1 out...
Hi, I get an OpenSSL error while the openssl seems loaded, can you guys see what's going wrong here? > library(openssl) Linking to: OpenSSL 1.1.1k 25 Mar 2021 > keras
while use function: getCD(HILIC) caused error address 0x7ffeda268fd8, cause 'memory not mapped' R version is 4.1.0
As of LightGBM v3.0, the max_bin parameter is to be set in the `lgb.Dataset()` instead of `lgb.train()` and `lgb.cv()`. Otherwise, it fails with the error: ``` [LightGBM] [Fatal] Cannot change...
when I train the model use the function of fit.lightgbm(), is always shows a failure.  does anyone meet this problem?
Hi, I want to install Retip but I am not able to install. There is a problem when I try to install devtools::install_github("Paolobnn/Retiplib") Error: Failed to install 'unknown package' from...
Dear Retip developer, I am trying to use this wonderful tool, However, I keep obtaining the following error.  the problem seems to be the rJava package, but I can...
Followed the step-by-step installation instructions, then used the demo workflow, still got this error: ``` 1) library(Retip) 2) prep.wizard() - Windows firewall warning (allow) socket cluster with 72 nodes on...
