Issues

• Use of np.float16 causes ValueError due to sparse array conversion

  datamol-io/graphium#539 · Filter by author gratus907 opened on Nov 11, 2025

• Dependency review for torchmetrics

  datamol-io/graphium#538 · Filter by author imkemayerowkin opened on Jun 18, 2025

• Availablility of Pretrained Models

  datamol-io/graphium#536 · Filter by author JacksonBurns opened on Apr 13, 2025

• Configuration for replicating results

  datamol-io/graphium#535 · Filter by author q8888620002 opened on Feb 19, 2025
  1

• Update imports in graphium_cpp such that versions of rdkit later than 2024.03.4 also work

  bug
  datamol-io/graphium#528 · Filter by author Andrewq11 opened on Oct 10, 2024 · Graphium 3.0
  

• Remove forced constraint to cuda 11.2 with Graphium 3.0

  datamol-io/graphium#512 · Filter by author DomInvivo opened on May 1, 2024
  1

• Properly testing the node ordering in test_featurizer.py

  ASAP prioritybug
  datamol-io/graphium#504 · Filter by author DomInvivo opened on Jan 19, 2024 · Graphium 3.0
  1

  

• Update MetricWrapper to work with the update/compute from torchmetrics

  enhancement
  datamol-io/graphium#466 · Filter by author DomInvivo opened on Sep 20, 2023
  1

• Script for easy download of datasets and splits

  feature
  datamol-io/graphium#462 · Filter by author blazejba opened on Sep 8, 2023

• Replace assert statements by if / raise

  enhancement
  datamol-io/graphium#428 · Filter by author DomInvivo opened on Aug 5, 2023 · Graphium 3.0

• Replace the pre-nn and pre-nn-edges by the MLPEncoder

  enhancement
  datamol-io/graphium#234 · Filter by author DomInvivo opened on Feb 27, 2023 · Graphium 3.0
  1

  

• Document make_mup_base_kwargs and how muP works

  documentationLow prioritymup
  datamol-io/graphium#205 · Filter by author callumm-graphcore opened on Feb 13, 2023 · MuP - about the micro-Transfer paper