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MatBench
GitHub
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Benchmark Info
Benchmark Info
Benchmark info for matbench_v0.1
Notes on Benchmarking
Full Benchmark Data
Full Benchmark Data
matbench_v0.1: AutoML-Mat
matbench_v0.1: Ax(10/90)+CrabNet v1.2.7
matbench_v0.1: Ax+CrabNet v1.2.1
matbench_v0.1: Ax/SAASBO CrabNet v1.2.7
matbench_v0.1: CrabNet
matbench_v0.1: CrabNet v1.2.1
matbench_v0.1: DeeperGATGNN
matbench_v0.1: DimeNet++ (kgcnn v2.1.0)
matbench_v0.1: Finder_v1.2 composition-only version
matbench_v0.1: Finder_v1.2 structure-based version
matbench_v0.1: GN-OA v1
matbench_v0.1: MegNet (kgcnn v2.1.0)
matbench_v0.1: RF-Regex Steels
matbench_v0.1: SchNet (kgcnn v2.1.0)
matbench_v0.1: TPOT-Mat
matbench_v0.1: ALIGNN
matbench_v0.1: AMMExpress v2020
matbench_v0.1: CGCNN v2019
matbench_v0.1: coGN
matbench_v0.1: coNGN
matbench_v0.1: Darwin
matbench_v0.1: Dummy
matbench_v0.1: gptchem
matbench_v0.1: Lattice-XGBoost
matbench_v0.1: Matformer
matbench_v0.1: MODNet (v0.1.10)
matbench_v0.1: MODNet (v0.1.12)
matbench_v0.1: RF-SCM/Magpie
How To Use
How To Use
1 - Install matbench
2 - Run benchmark on algorithm
3 - Submit to leaderboard
Advanced usage
Leaderboards Per Task
Leaderboards Per Task
matbench_v0.1 matbench_dielectric
matbench_v0.1 matbench_expt_gap
matbench_v0.1 matbench_expt_is_metal
matbench_v0.1 matbench_glass
matbench_v0.1 matbench_jdft2d
matbench_v0.1 matbench_log_gvrh
matbench_v0.1 matbench_log_kvrh
matbench_v0.1 matbench_mp_e_form
matbench_v0.1 matbench_mp_gap
matbench_v0.1 matbench_mp_is_metal
matbench_v0.1 matbench_perovskites
matbench_v0.1 matbench_phonons
matbench_v0.1 matbench_steels
Reference
Reference
MatbenchBenchmark
MatbenchTask
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