diff --git a/CHANGELOG.md b/CHANGELOG.md index a287233..9462128 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,5 +1,14 @@ # Changelog +## 1.2.0 - 2026-06-15 + +### Added +- iLIS interface score (AFM-LIS; Kim et al., github.com/flyark/AFM-LIS): the geometric mean `iLIS = sqrt(LIS * cLIS)`, where `cLIS` is the LIS PAE transform averaged only over residue pairs in direct contact (CB-else-CA within `contact_thresh`, default 8 Å). Adds `Interface.clis()`/`ilis()` and emits `interface_cLIS` / `interface_iLIS` next to `interface_LIS` in the per-run CSV. Validated against the official AFM-LIS `lis.py` (agreement to 4 decimal places). + +### Changed +- Percentile sliders and meta-score are now calibrated on **positive (interacting) benchmark pairs only** (3,878 AF2/AF3 positive rows) instead of the full decoy-padded population, so predictions are ranked against the distribution of real interfaces. Per-feature AUROC is unchanged (monotonic transform); production `interface_meta_score` AUROC on the balanced benchmark is 0.878. Use `scripts/freeze_metascore_quantiles.py --label-filter positive|negative|all` to reproduce the deciles (`all` reproduces the prior scale bit-for-bit). +- Removed the black poly-line connecting per-group slider markers in the report; each metric still shows its percentile marker, and the Meta marker is recomputed from the current calibration so it stays consistent with the recalibrated sliders. + ## 1.1.0 - 2026-06-03 ### Added diff --git a/pyproject.toml b/pyproject.toml index 97bc2c3..ece3cdd 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta" [project] name = "alphajudge" -version = "1.1.0" +version = "1.2.0" description = "Evaluate AlphaFold-predicted protein complexes using confidence metrics and interface biophysics." readme = { file = "README.md", content-type = "text/markdown" } requires-python = ">=3.10"