v2.6.0
Aug 20267 changesBenchmarks, composition ML and a fully graphed pipeline.
- FeatureMatBench standard tasks: official 5-fold splits bundled, Matflow composition baseline scores on the benchmarks page (steels, glass).
- FeatureComposition property prediction with a learned element-embedding model (with uncertainty) and a composition baseline — new Composition ML tab on Materials Search.
- FeatureMatflow candidate sampler on the Data Synthesis stage — generative flow sampling over the discretized design space, biased toward a surrogate-predicted target.
- FeatureStructure-property explorer (chemiscope) on the Atomistic stage — linked scatter plot + 3D viewer over uploaded XYZ structures with property CSV axes.
- FeatureActive learning query strategies: uncertainty sampling and query-by-committee alongside Bayesian acquisition.
- FeatureOptimization search algorithms: Matflow multi-objective search variants alongside the Matflow Adaptive Search.
- FeatureFull Pipeline rendered as an interactive node graph — click-to-jump stages, artifact edges, active-learning loop-back.