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Download fourth_mut/README.md from SPICE-Protein/spice_data: direct link, hf CLI and curl.
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2.13 kB
fourth_mut — 7QF3 (miniSOG R57Q), 4th RL mutation batch
Generated: 2026-08-14 (HPC) Parent: 7QF3 (miniSOG R57Q, Arabidopsis thaliana, 116 aa, LOV/PAS fold)
Data files
| File | Description |
|---|---|
posttrain/coverage.csv |
Path A environment coverage: per-episode collapse points (env_fail), pH/T |
posttrain/metrics.csv |
RL metrics: per-episode timing, buffer size, survivors, SAC losses |
posttrain/pathb_candidates.csv |
All Path B candidates: mutations, strategy, fitness, Q, survived |
pseudo_7qf3_epNNN_M_20.npz |
Surviving-mutant pseudo-labels (coords 116×3 + seq + env) |
Batch statistics
- 10 episodes (ep0–9), 56 candidates, 40 survivors (71%)
- 28 pseudo-label files, all
coords (116,3)valid - Mean 4.85 mutations per survivor (relative to wild type)
Consensus mutations (across survivors)
| Mutation | Survivor fraction | Chemistry |
|---|---|---|
| L70→H | 37/40 (92%) | hydrophobic → basic imidazole |
| H85→D | 32/40 (80%) | basic → acidic |
| L113→S | 24/40 (60%) | hydrophobic → polar |
| L116→Y | 24/40 (60%) | hydrophobic → aromatic |
| K3→S | 16/40 (40%) | basic → polar |
Physical interpretation
- Cross-episode interface convergence (core signal): the Cα neighborhoods of the N-terminal residues (3/7/85) all contact the C-terminal 100–103 strand — the same N-term↔C-term sheet interface as the first-generation rescue sites (100/102/103). The physics engine repeatedly rediscovers the same fragile interface across generations, a convergence a random mutator would not reproduce.
- N-terminal false-positive warning: residues 1–3 form a free, solvent-exposed tail with no core contacts and absorbed many exploratory attempts (position 1: 21 substitutions); any tail mutation trivially passes the short-window Q-gate. Treat tail mutations as likely false positives; the real signal is the core-interface L70H/H85D.
- SAC not yet trained: losses NaN, alpha constant at 1.0, buffer ≤ 161 — this generation's output is exploration + engine screening, not a learned policy.