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Pull requests: chemprop/chemprop

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Pull requests list

Fix padded scaler export
#1405 opened Sep 7, 2026 by emecii Loading…
2 tasks done
Fix binary MCC sample weight broadcasting
#1404 opened Sep 7, 2026 by emecii Loading…
2 tasks done
Fix --raytune-max-concurrent-trials not passed to TuneConfig
#1403 opened Sep 1, 2026 by castor639 Loading…
2 tasks
Fix MeanAggregation ONNX path with sum/count (#1335)
#1401 opened Sep 1, 2026 by castor639 Loading…
2 tasks
Fix cuik-molmaker featurization with DataLoader num_workers > 0
#1399 opened Aug 29, 2026 by castor639 Loading…
2 tasks done
Add cuik-molmaker support for MolAtomBond train/predict/hpopt
#1380 opened Jul 16, 2026 by craabreu Contributor Loading…
Include Known Target Values in Outputs
#1371 opened Jun 12, 2026 by JacksonBurns Member Draft
2 tasks done
Polymer functionality via wD-MPNN
#1214 opened Apr 25, 2025 by MarcS18 Loading…
2 tasks done
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