Project AURIONAI Use-Cases Research & Innovation

Matbench Discovery

MLIP materials discovery ranked by CPS; also F1 and kSRME

domainactive

Score in F1, leaderboard fetched 2026-10-10

  1. 1MetaeSEN-30M-OAM0.925 F1maintainer-run
  2. 2EPFLPET-OAM-XL0.924 F1maintainer-run
  3. 3Institute of Computing Technology, Chinese Academy of SciencesMatRIS-10M-OAM0.921 F1maintainer-run
30scores
10models
0independent
30maintainer-run
0vendor-reported

Definition

Version
not in the notes
Category
domain
Maintainer
not in the notes
Status
active
Home page
https://matbench-discovery.materialsproject.org/

Sources

  1. Matbench Discovery matbench-discovery.materialsproject.org https://matbench-discovery.materialsproject.org/

Scores at a Glance

Score in F1, leaderboard fetched 2026-10-10

Higher is better for this unit.

1MetaeSEN-30M-OAMMeta
0.925 F1
maintainer-run2EPFLPET-OAM-XLEPFL
0.924 F1
maintainer-run3Institute of Computing Technology, Chinese Academy of SciencesMatRIS-10M-OAMInstitute of Computing Technology, Chinese Academy of Sciences
0.921 F1
maintainer-run4EquFlash
0.919 F1
maintainer-run5Harvard UniversityNequip-OAM-XLHarvard University
0.906 F1
maintainer-run6Seoul National UniversitySevenNet-Omni-i12Seoul National University
0.906 F1
maintainer-run7Orbital MaterialsORB v3Orbital Materials
0.905 F1
maintainer-run8Harvard UniversityNequip-OAM-LHarvard University
0.893 F1
maintainer-run9TACE-v1-OAM-M
0.889 F1
maintainer-run10ICAMS BochumGRACE-2L-OAM-LICAMS Bochum
0.883 F1
maintainer-run
00.250.50.751

Score in CPS, leaderboard fetched 2026-10-10, ranked by CPS

Higher is better for this unit.

1EPFLPET-OAM-XLEPFL
0.898 CPS
maintainer-run2EquFlash
0.888 CPS
maintainer-run3MetaeSEN-30M-OAMMeta
0.888 CPS
maintainer-run4Harvard UniversityNequip-OAM-XLHarvard University
0.886 CPS
maintainer-run5Institute of Computing Technology, Chinese Academy of SciencesMatRIS-10M-OAMInstitute of Computing Technology, Chinese Academy of Sciences
0.877 CPS
maintainer-run6Seoul National UniversitySevenNet-Omni-i12Seoul National University
0.873 CPS
maintainer-run7Harvard UniversityNequip-OAM-LHarvard University
0.87 CPS
maintainer-run8TACE-v1-OAM-M
0.867 CPS
maintainer-run9ICAMS BochumGRACE-2L-OAM-LICAMS Bochum
0.865 CPS
maintainer-run10Orbital MaterialsORB v3Orbital Materials
0.86 CPS
maintainer-run
00.250.50.751

Score in kSRME, leaderboard fetched 2026-10-10

Lower is better for this unit.

1EPFLPET-OAM-XLEPFLlower is better
0.119 kSRME
maintainer-run2Harvard UniversityNequip-OAM-XLHarvard Universitylower is better
0.125 kSRME
maintainer-run3EquFlashlower is better
0.158 kSRME
maintainer-run4Harvard UniversityNequip-OAM-LHarvard Universitylower is better
0.166 kSRME
maintainer-run5ICAMS BochumGRACE-2L-OAM-LICAMS Bochumlower is better
0.169 kSRME
maintainer-run6MetaeSEN-30M-OAMMetalower is better
0.17 kSRME
maintainer-run7TACE-v1-OAM-Mlower is better
0.173 kSRME
maintainer-run8Seoul National UniversitySevenNet-Omni-i12Seoul National Universitylower is better
0.192 kSRME
maintainer-run9Orbital MaterialsORB v3Orbital Materialslower is better
0.21 kSRME
maintainer-run10Institute of Computing Technology, Chinese Academy of SciencesMatRIS-10M-OAMInstitute of Computing Technology, Chinese Academy of Scienceslower is better
0.218 kSRME
maintainer-run
00.10.20.3
Where this comes from
Each bar is one model, with its most independent recorded score. Hatched bars are vendor-reported; the word beside each bar says who ran it. Settings and dates differ between rows; the Scores table below has every result.

Scores

30 of 30 scores shown matbench-discovery-scores.csv
ModelScoreWho ran itSettingView or populationDateSource
MetaeSEN-30M-OAM0.925 F1maintainer-run–leaderboard fetched 2026-10-1017 Mar 2025matbench-discovery.materialsproject.org
EPFLPET-OAM-XL0.924 F1maintainer-run–leaderboard fetched 2026-10-1010 Jan 2026matbench-discovery.materialsproject.org
Institute of Computing Technology, Chinese Academy of SciencesMatRIS-10M-OAM0.921 F1maintainer-run–leaderboard fetched 2026-10-1029 Oct 2025matbench-discovery.materialsproject.org
EquFlash0.919 F1maintainer-run–leaderboard fetched 2026-10-1023 Jun 2025matbench-discovery.materialsproject.org
Harvard UniversityNequip-OAM-XL0.906 F1maintainer-run–leaderboard fetched 2026-10-1030 Nov 2025matbench-discovery.materialsproject.org
Seoul National UniversitySevenNet-Omni-i120.906 F1maintainer-run–leaderboard fetched 2026-10-1012 Jan 2026matbench-discovery.materialsproject.org
Orbital MaterialsORB v30.905 F1maintainer-run–leaderboard fetched 2026-10-105 Apr 2025matbench-discovery.materialsproject.org
EPFLPET-OAM-XL0.898 CPSmaintainer-run–rank 1, leaderboard fetched 2026-10-10, ranked by CPS10 Jan 2026matbench-discovery.materialsproject.org
Harvard UniversityNequip-OAM-L0.893 F1maintainer-run–leaderboard fetched 2026-10-108 Sep 2025matbench-discovery.materialsproject.org
TACE-v1-OAM-M0.889 F1maintainer-run–leaderboard fetched 2026-10-106 Jan 2026matbench-discovery.materialsproject.org
EquFlash0.888 CPSmaintainer-run–rank 3, leaderboard fetched 2026-10-10, ranked by CPS23 Jun 2025matbench-discovery.materialsproject.org
MetaeSEN-30M-OAM0.888 CPSmaintainer-run–rank 2, leaderboard fetched 2026-10-10, ranked by CPS17 Mar 2025matbench-discovery.materialsproject.org
Harvard UniversityNequip-OAM-XL0.886 CPSmaintainer-run–rank 4, leaderboard fetched 2026-10-10, ranked by CPS30 Nov 2025matbench-discovery.materialsproject.org
ICAMS BochumGRACE-2L-OAM-L0.883 F1maintainer-run–leaderboard fetched 2026-10-109 Sep 2025matbench-discovery.materialsproject.org
Institute of Computing Technology, Chinese Academy of SciencesMatRIS-10M-OAM0.877 CPSmaintainer-run–rank 5, leaderboard fetched 2026-10-10, ranked by CPS29 Oct 2025matbench-discovery.materialsproject.org
Seoul National UniversitySevenNet-Omni-i120.873 CPSmaintainer-run–rank 6, leaderboard fetched 2026-10-10, ranked by CPS12 Jan 2026matbench-discovery.materialsproject.org
Harvard UniversityNequip-OAM-L0.87 CPSmaintainer-run–rank 7, leaderboard fetched 2026-10-10, ranked by CPS8 Sep 2025matbench-discovery.materialsproject.org
TACE-v1-OAM-M0.867 CPSmaintainer-run–rank 8, leaderboard fetched 2026-10-10, ranked by CPS6 Jan 2026matbench-discovery.materialsproject.org
ICAMS BochumGRACE-2L-OAM-L0.865 CPSmaintainer-run–rank 9, leaderboard fetched 2026-10-10, ranked by CPS9 Sep 2025matbench-discovery.materialsproject.org
Orbital MaterialsORB v30.86 CPSmaintainer-run–rank 10, leaderboard fetched 2026-10-10, ranked by CPS5 Apr 2025matbench-discovery.materialsproject.org
Institute of Computing Technology, Chinese Academy of SciencesMatRIS-10M-OAM0.218 kSRMEmaintainer-runlower is betterleaderboard fetched 2026-10-1029 Oct 2025matbench-discovery.materialsproject.org
Orbital MaterialsORB v30.21 kSRMEmaintainer-runlower is betterleaderboard fetched 2026-10-105 Apr 2025matbench-discovery.materialsproject.org
Seoul National UniversitySevenNet-Omni-i120.192 kSRMEmaintainer-runlower is betterleaderboard fetched 2026-10-1012 Jan 2026matbench-discovery.materialsproject.org
TACE-v1-OAM-M0.173 kSRMEmaintainer-runlower is betterleaderboard fetched 2026-10-106 Jan 2026matbench-discovery.materialsproject.org
MetaeSEN-30M-OAM0.17 kSRMEmaintainer-runlower is betterleaderboard fetched 2026-10-1017 Mar 2025matbench-discovery.materialsproject.org
ICAMS BochumGRACE-2L-OAM-L0.169 kSRMEmaintainer-runlower is betterleaderboard fetched 2026-10-109 Sep 2025matbench-discovery.materialsproject.org
Harvard UniversityNequip-OAM-L0.166 kSRMEmaintainer-runlower is betterleaderboard fetched 2026-10-108 Sep 2025matbench-discovery.materialsproject.org
EquFlash0.158 kSRMEmaintainer-runlower is betterleaderboard fetched 2026-10-1023 Jun 2025matbench-discovery.materialsproject.org
Harvard UniversityNequip-OAM-XL0.125 kSRMEmaintainer-runlower is betterleaderboard fetched 2026-10-1030 Nov 2025matbench-discovery.materialsproject.org
EPFLPET-OAM-XL0.119 kSRMEmaintainer-runlower is betterleaderboard fetched 2026-10-1010 Jan 2026matbench-discovery.materialsproject.org
Where this comes from
Scores from different settings, harnesses or dates are not directly comparable; the row says which. Sorted by score, highest first, as a reading aid, not a ranking.

To cite this page: Project AURION, AI Use-Cases Research & Innovation, "Matbench Discovery", https://aurion.semai.id/benchmarks/matbench-discovery/, records of October 2026.