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Post-hoc selectivity scoring using auxiliary assay data

Status: Open.

#27 In OpenADMET/moal;

· smcolby opened on May 12, 2026

Learnable per-fidelity sigma parameters in Tobit loss

Status: Open.

#25 In OpenADMET/moal;

· smcolby opened on May 12, 2026

Numerical instability in interval Tobit loss (log-space subtraction

Status: Open.

#24 In OpenADMET/moal;

· smcolby opened on May 12, 2026

Weighted batch sampler to balance DRC and PS records per batch

Status: Open.

#23 In OpenADMET/moal;

· smcolby opened on May 12, 2026

Stratified train/val split by pEC50 quartile in MixedFidelityDataModule

Status: Open.

#22 In OpenADMET/moal;

· smcolby opened on May 12, 2026

Add cosine annealing LR scheduler to ChemPropLightningModule

Status: Open.

#20 In OpenADMET/moal;

· smcolby opened on May 12, 2026

Switch to AdamW optimizer and expose dropout / weight_decay parameters

Status: Open.

#19 In OpenADMET/moal;

· smcolby opened on May 12, 2026

Multi-task auxiliary head for counter-assay / selectivity prediction

Status: Open.

#16 In OpenADMET/moal;

· smcolby opened on May 12, 2026

Add per-sample loss weight to LabelRecord and apply in Tobit loss

Status: Open.

#15 In OpenADMET/moal;

· smcolby opened on May 12, 2026