mitangguoguon

Have you solved the problem? I have this problem too.

> Can you post the commands you are running? chemprop train --data-path $input --checkpoint $checkpoint --mol-target-columns $target --split SCAFFOLD_BALANCED --save-dir $modeldir --task-type regression --save-smiles-splits --num-workers 15 --metrics {r2,mae,rmse} --num-replicates 5...

> How did you generate `$checkpoint`? chemprop train --data-path $input --mol-target-columns $target --split SCAFFOLD_BALANCED --save-dir $modeldir --task-type regression --save-smiles-splits --num-workers 15 --metrics {r2,mae,rmse} --logfile $modeldir/log.txt I use this to generate...

> [@mitangguoguon](https://github.com/mitangguoguon) can you use `--target-columns` instead of `--mol-target-columns` for your `train` commands, and re-run them? I consulted with [@KnathanM](https://github.com/KnathanM) offline and he suspects there is a bug in the...

> > [@mitangguoguon](https://github.com/mitangguoguon) can you use `--target-columns` instead of `--mol-target-columns` for your `train` commands, and re-run them? I consulted with [@KnathanM](https://github.com/KnathanM) offline and he suspects there is a bug in...