Issues

• How to use trained models of Crabnet?

  anthony-wang/CrabNet#40 · Filter by author tesitify opened on Oct 3, 2026

• Reason to use pe_scaler and ple_scaler

  anthony-wang/CrabNet#37 · Filter by author grmaier opened on Sep 26, 2023

• AttributeError: 'SWA' object has no attribute '_optimizer_step_pre_hooks'. Did you mean: '_optimizer_step_code'?

  anthony-wang/CrabNet#36 · Filter by author pbenner opened on May 12, 2023
  1

• Facing issue while importing model (from crabnet.model import Model)

  anthony-wang/CrabNet#32 · Filter by author Preyansh1112 opened on Oct 6, 2022
  1

• Add skipatom featurizer to the repository

  anthony-wang/CrabNet#29 · Filter by author sgbaird opened on Mar 26, 2022

• Parameter used for the results in the published work

  anthony-wang/CrabNet#28 · Filter by author GuptaVishu2002 opened on Mar 23, 2022

• Reproducing RooSt results, error using RooSt Colab example is higher than what's reported in CrabNet paper

  anthony-wang/CrabNet#26 · Filter by author sgbaird opened on Mar 6, 2022

• CrabNet matbench data, possible mismatch between submission notebook and results

  anthony-wang/CrabNet#23 · Filter by author sgbaird opened on Feb 5, 2022
  2

• attention-heads as samples from posterior distribution in a Bayesian sense

  anthony-wang/CrabNet#22 · Filter by author sgbaird opened on Feb 5, 2022

• pinned pytorch and cudatoolkit dependencies possibly defunct for GPU usage

  anthony-wang/CrabNet#21 · Filter by author sgbaird opened on Feb 5, 2022
  1

• the classification criterion doesn't factor in the uncertainty - does this mean ignore the uncertainty for classification?

  anthony-wang/CrabNet#20 · Filter by author sgbaird opened on Jan 7, 2022

• CrabNet matbench results - possibly neglecting 25% of the training data it could have used

  anthony-wang/CrabNet#19 · Filter by author sgbaird opened on Dec 31, 2021
  2

• Seems like an "extend_features" option for CrabNet could be useful for several people

  anthony-wang/CrabNet#17 · Filter by author sgbaird opened on Dec 3, 2021
  14

• Does CrabNet use the validation data to improve the model?

  anthony-wang/CrabNet#15 · Filter by author sgbaird opened on Sep 23, 2021
  4

• fit() and predict() methods

  anthony-wang/CrabNet#14 · Filter by author sgbaird opened on Sep 18, 2021

• CrabNet sometimes ignores/skips certain compounds. Why? How to keep track of compound IDs?

  question
  anthony-wang/CrabNet#13 · Filter by author sgbaird opened on Sep 15, 2021
  4

• pip or conda install

  enhancementhelp wanted
  anthony-wang/CrabNet#11 · Filter by author sgbaird opened on Sep 11, 2021
  6