Graphium

📦 Uncategorized

- Fixed the CE or BCE to CE or MSE
- PR: 445

🐛 Fixes

- Fix isinstance check and broadened tests to include more Python versions
- PR: 442

📦 Uncategorized

- Baselines for LargeMix
- PR: 444

📦 Uncategorized

- Caching logic improvement
- PR: 432

🐛 Fixes

- Strategy defaults to 'auto'
- PR: 436

📦 Uncategorized

- Adding unit test for finetuning from gnn
- PR: 433
- Disable wandb by default + complete integration tests
- PR: 434
- Simple ipu install
- PR: 435
- Updating the website
- PR: 438

🚀 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

🚀 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