2.3.0

🚀 Features

• Configs v2
  • PR: #421

🐛 Fixes

• Fixed GatedGCN in float16. Minor cleanups.
  • PR: #426
• Gpu mixed-precision overflow fix
  • PR: #429

📦 Uncategorized

• minor fix to the max_num_nodes_per_graph during testing
  • PR: #416
• Updating the README to point to SDK 3.3 and adding a more detailed IP…
  • PR: #417
• [TEMP] Fix to the CI - all tests passing
  • PR: #420
• pcqm4m changes with mpnn and gps++ configs, fix run_validation_test.py
  • PR: #419
• Ipu dataloader test
  • PR: #410
• Fix neurips configs after hydra integration
  • PR: #423
• Speed test + largemix mpnn config
  • PR: #424
• Metric fix: auroc avpr and metric averaging
  • PR: #427
• Finetuning pipeline
  • PR: #414

2.2.0

🚀 Features

• Update of CI workflow / coverage
  • PR: #389
• Enable pytorch 2 in CI
  • PR: #403
• Made the TDC ADMET Benchmark group available in Graphium
  • PR: #398

🐛 Fixes

• Ipu sdk 3.3
  • PR: #396
• Additional IPU test coverage
  • PR: #402

📦 Uncategorized

• Fail if hardware not available
  • PR: #395
• Fixed OGB test. Added black
  • PR: #399
• GPU Optimizations
  • PR: #378
• improve inconsistent dimensions error messages
  • PR: #407
• Checking for inconsistent numbers of nodes/edges/nodepairs between labels and features
  • PR: #400
• Using 16-true precision
  • PR: #408
• Changed the metrics logging logic
  • PR: #409
• Largemix convergence, throughput optimisation and add sampler
  • PR: #391
• filter splits NaNs
  • PR: #411
• Hydra Integration
  • PR: #405

2.1.3

🐛 Fixes

• Pin pydantic to <2 cuz of lightning
  • PR: #393

2.1.2

🚀 Features

• add google analytics support and little tweaks
  • PR: #392

📦 Uncategorized

• Largemix add some functionalities
  • PR: #390

2.1.1

🚀 Features

• Clean dependencies and remove mordred deps
  • PR: #388

2.1.0

🐛 Fixes

• Fix label dtype error
  • PR: #369

📦 Uncategorized

• Merging configs
  • PR: #362
• Hybrid ce loss changes
  • PR: #364
• Debug logging
  • PR: #353
• Removing hydrogens
  • PR: #350
• Lightning v2
  • PR: #323
• some fixes: keys() and use normalization flag on val and test for baseline configs
  • PR: #367
• Tutorial update and dependency fix
  • PR: #370
• Hyperparameter change fr toymix baseline configs
  • PR: #375
• Reworking GNN tutorials
  • PR: #376
• Removed note from the readme
  • PR: #377
• Gradient button
  • PR: #381
• add lightning.txt file
  • PR: #382
• Tidy + add IPU installation instructions
  • PR: #380
• Adding the IPU notebook to the graphium repo as well
  • PR: #385
• Raise original error if poptorch cannot be imported
  • PR: #384
• Baselines
  • PR: #387

2.0.2

📦 Uncategorized

• fix IPU install instructions
  • PR: #352

2.0.1

• no changes

2.0.0

• no changes