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materialsproject / matbench

Matbench: Benchmarks for materials science property prediction
https://matbench.materialsproject.org
MIT License
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new_benchmark #174

Closed ihalage closed 2 years ago

ihalage commented 2 years ago

Submitting benchmark results of formula graph self-attention network for materials discovery (Finder) algorithm. Finder is a GNN architecture that can be used with or without crystal structures. 8 matbench regression tasks are considered in this submission.

Please note that there are two new benchmark directories matbench_v0.1_Finder_v1.2_composition and matbench_v0.1_Finder_v1.2_structure for composition-only and structure-based versions of Finder, respectively.

ardunn commented 2 years ago

@ihalage I just pushed a fix (I think), let's see if it is able to pass tests now

ardunn commented 2 years ago

Thanks @ihalage !! This is an excellent submission, especially with the well-documented .py files!

ihalage commented 2 years ago

Thanks for your help @ardunn. Really glad to see Finder listed on matbench leaderboard :)