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Reason to use pe_scaler and ple_scaler

Status: Open.

#37 In anthony-wang/CrabNet;

· grmaier opened on Sep 26, 2023

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

Status: Open.

#36 In anthony-wang/CrabNet;

· pbenner opened on May 12, 2023

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

Status: Open.

#32 In anthony-wang/CrabNet;

· Preyansh1112 opened on Oct 6, 2022

Add skipatom featurizer to the repository

Status: Open.

#29 In anthony-wang/CrabNet;

· sgbaird opened on Mar 26, 2022

Parameter used for the results in the published work

Status: Open.

#28 In anthony-wang/CrabNet;

· GuptaVishu2002 opened on Mar 23, 2022

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

Status: Open.

#26 In anthony-wang/CrabNet;

· sgbaird opened on Mar 6, 2022

CrabNet matbench data, possible mismatch between submission notebook and results

Status: Open.

#23 In anthony-wang/CrabNet;

· sgbaird opened on Feb 5, 2022

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

Status: Open.

#22 In anthony-wang/CrabNet;

· sgbaird opened on Feb 5, 2022

pinned pytorch and cudatoolkit dependencies possibly defunct for GPU usage

Status: Open.

#21 In anthony-wang/CrabNet;

· sgbaird opened on Feb 5, 2022

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

Status: Open.

#20 In anthony-wang/CrabNet;

· sgbaird opened on Jan 7, 2022

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

Status: Open.

#19 In anthony-wang/CrabNet;

· sgbaird opened on Dec 31, 2021

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

Status: Open.

#17 In anthony-wang/CrabNet;

· sgbaird opened on Dec 3, 2021