BasvdVelde
BasvdVelde
Hi, I hope this is still active, as I would really like to use your code for my PMS5003 on the ESP32 WROOM. When uploading the basic code (after downloading...
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