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Dependency review for torchmetrics

Status: Open.

#538 In datamol-io/graphium;

· imkemayerowkin opened on Jun 18, 2025

Availablility of Pretrained Models

Status: Open.

#536 In datamol-io/graphium;

· JacksonBurns opened on Apr 13, 2025

Configuration for replicating results

Status: Open.

#535 In datamol-io/graphium;

· q8888620002 opened on Feb 19, 2025

Update imports in <code>graphium_cpp</code> such that versions of <code>rdkit</code> later than <code>2024.03.4</code> also work

bugSomething isn't workingSomething isn't working

Status: Open.

#528 In datamol-io/graphium;

· Andrewq11 opened on Oct 10, 2024

· 

Graphium 3.0

Remove forced constraint to cuda 11.2 with Graphium 3.0

Status: Open.

#512 In datamol-io/graphium;

· DomInvivo opened on May 1, 2024

Properly testing the node ordering in <code>test_featurizer.py</code>

ASAP priorityMajor thing to do or fixMajor thing to do or fix

bugSomething isn't workingSomething isn't working

Status: Open.

#504 In datamol-io/graphium;

· DomInvivo opened on Jan 19, 2024

· 

Graphium 3.0

Update <code>MetricWrapper</code> to work with the update/compute from torchmetrics

enhancementNew feature or requestNew feature or request

Status: Open.

#466 In datamol-io/graphium;

· DomInvivo opened on Sep 20, 2023

Script for easy download of datasets and splits

feature

Status: Open.

#462 In datamol-io/graphium;

· blazejba opened on Sep 8, 2023

Replace <code>assert</code> statements by <code>if / raise</code>

enhancementNew feature or requestNew feature or request

Status: Open.

#428 In datamol-io/graphium;

· DomInvivo opened on Aug 5, 2023

· 

Graphium 3.0

Replace the <code>pre-nn</code> and <code>pre-nn-edges</code> by the <code>MLPEncoder</code>

enhancementNew feature or requestNew feature or request

Status: Open.

#234 In datamol-io/graphium;

· DomInvivo opened on Feb 27, 2023

· 

Graphium 3.0

Document <code>make_mup_base_kwargs</code> and how muP works

documentationImprovements or additions to documentationImprovements or additions to documentation

Low priorityA good idea we should maybe doA good idea we should maybe do

mup

Status: Open.

#205 In datamol-io/graphium;

· callumm-graphcore opened on Feb 13, 2023

· 

MuP - about the micro-Transfer paper