Skip to content

Releases: datamol-io/graphium

2.4.5

19 Jan 15:54
7771164
Compare
Choose a tag to compare

📦 Uncategorized

  • Converted text in SVG to path, so that it doesn't need a font
  • Copyright headers.
  • Updated readme graphium-train to newer version
  • Fix mup for the layers with AttentionLayerMup
  • MAJOR-BUG for node/edge predictions: Added ordered=True to to_mol

2.4.4

21 Dec 16:56
dd0a99c
Compare
Choose a tag to compare
  • no changes

2.4.1

19 Sep 02:12
3298898
Compare
Choose a tag to compare

📦 Uncategorized

  • Improved logging
  • Baselines

2.4.0

07 Sep 14:01
41a1172
Compare
Choose a tag to compare

🐛 Fixes

  • Fixed the CLI command definition and data module preparation

📦 Uncategorized

  • Update test_ipu.yml
  • Pipeline integration + Virtual Nodes Edges bug fix

2.3.6

01 Sep 11:40
0d24634
Compare
Choose a tag to compare

🐛 Fixes

  • Various updates to graphium

2.3.5

31 Aug 12:26
c211dac
Compare
Choose a tag to compare

📦 Uncategorized

  • Fix strategy argument for trainer
  • Expose multiprocessing_context for dataloading
  • Samuelm/neurips large
  • Add dataloader_idx argument to callbacks
  • WIP: Various improvements to the CLI endpoints
  • Added ultralarge baselines

2.3.4

26 Aug 14:33
95ece97
Compare
Choose a tag to compare

📦 Uncategorized

  • Fixed the CE or BCE to CE or MSE

2.3.3

26 Aug 04:02
8358a0d
Compare
Choose a tag to compare

🐛 Fixes

  • Fix isinstance check and broadened tests to include more Python versions

📦 Uncategorized

  • Baselines for LargeMix

2.3.2

18 Aug 19:28
4adaaf7
Compare
Choose a tag to compare

📦 Uncategorized

  • Caching logic improvement

2.3.1

18 Aug 05:19
64c1cde
Compare
Choose a tag to compare

🐛 Fixes

  • Strategy defaults to 'auto'

📦 Uncategorized

  • Adding unit test for finetuning from gnn
  • Disable wandb by default + complete integration tests
  • Simple ipu install
  • Updating the website