add xgdp#446
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…ll tests when rdkit not installed
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Codecov Report❌ Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## development #446 +/- ##
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- Coverage 80.34% 74.79% -5.56%
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Files 101 118 +17
Lines 8171 10124 +1953
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+ Hits 6565 7572 +1007
- Misses 1606 2552 +946 ☔ View full report in Codecov by Harness. 🚀 New features to boost your workflow:
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Adds XGDP. The model combines a GNN branch for drug molecular graphs with a 1D-CNN branch for cell line gene expression, with optional cross-attention.
Adapted from the original repository with the following changes for drevalpy integration:
upstream/developmentand resolved conflictscreate_drug_graphs.pyfeaturizerensure_drug_graphsfixture totests/conftest.pyS614fortorch.load(..., weights_only=False)(required fortorch_geometric.data.Data)