2020-04-01から1ヶ月間の記事一覧

Getting sample datasets from DeepChem/PDBbind to play around from home

Ok, stay home, play around from home...NO DATASET TO TRAIN!!! AHHHHH!!!! Then comes the nice deepchem dataset with variety of sample dataset. Or there is Binding DB and so on.https://github.com/deepchem/deepchem#citing-deepchemhttp://www.b…

Active Learn using Density as well

Previously I posted active learning example. hateknime.hatenablog.com and did say I'm going to try with density label so here it is. Took a while with all sorts of problems but I had it in the end. I plotted what happens with AMES dataset.…