AqSolDB - dataset for solubility, ignored intentionally?

MolecularAI / Chemformer

Apache License 2.0

211 stars 36 forks source link

AqSolDB - dataset for solubility, ignored intentionally? #15

Closed salman-moh closed 1 year ago

salman-moh commented 2 years ago

Hi, The same regression fine-tuning of 3 tasks simulataneously but adding the other solubility datasets as well from here , but before I go ahead with it, I'm curious if a thought was given to this or were there any disadvantages to this? maybe because the dataset isnt completely reliable.

Thanks

EBjerrum commented 1 year ago

No, didn't know the other dataset.