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warmup_frac is correct but no config sets it, so the drift 7642867 describes is still live in every run

Status: Open.

#14 In Huang-lab/TRACE-Kin;

· kuanlinhuang opened on Sep 17, 2026

c82d5d6 reverted the config restore: config_v7.json is still the widened+BN arm, and GRIT inherits BatchNorm on RRWP

Status: Open.

#12 In Huang-lab/TRACE-Kin;

· kuanlinhuang opened on Sep 10, 2026

check regularisation techniques for over-squashing and over-smoothing

Status: Open.

#8 In Huang-lab/TRACE-Kin;

· AtlasMaroc opened on Aug 27, 2026

config_v7.json lost mol_pe_mode in the cleanup commit, so ligand PE is silently off

Status: Open.

#5 In Huang-lab/TRACE-Kin;

· kuanlinhuang opened on Aug 27, 2026

Investigate Readout Function in GNNs

Status: Open.

#4 In Huang-lab/TRACE-Kin;

· AtlasMaroc opened on Aug 23, 2026

Per token Embedding in Ligand GNN

Status: Open.

#2 In Huang-lab/TRACE-Kin;

· AtlasMaroc opened on Aug 13, 2026

Add and ablate Positional Enconding to smile graph

Status: Open.

#1 In Huang-lab/TRACE-Kin;

· AtlasMaroc opened on Aug 13, 2026