OptBench OptBench OptBench
  • Suites
    • Minimization
    • Saddle search
    • Double-ended saddle search
    • Global optimization
    • Lowest eigenvector
    • Transition state optimization
    • Machine learning optimization
    • Nudged elastic band
    • Harmonic transition state theory
    • Accelerated molecular dynamics
  • Board
  • Methodology
  • Codes
/

Suites

  • Minimization
    • Lennard-Jones 38 clusters
    • Lennard-Jones 38 clusters with Gaussian force noise
    • Morse bulk
  • Saddle search
    • Pt heptamer island
  • Double-ended saddle search
    • Lennard-Jones 38 transition-state separation
    • LJ38 double-ended saddle
    • Pt heptamer island
  • Global optimization
    • Binary Lennard-Jones 100
    • Lennard-Jones 150
    • Lennard-Jones 38 global minimum
    • Lennard-Jones 75
    • Lennard-Jones 98
    • TIP4P 10
    • TIP4P 15
    • TIP4P 20
  • Lowest eigenvector
    • Lennard-Jones 38
  • Transition state optimization
    • H2 dissociation on a fixed Cu substrate
    • Lennard-Jones 38
    • Pt heptamer island
  • Machine learning optimization
    • EMT Pt 38 nanoparticle
    • Ethene
  • Nudged elastic band
    • Pt heptamer island
  • Harmonic transition state theory
    • EAM aluminum
    • Pt heptamer island
  • Accelerated molecular dynamics
    • Al adatom on Al(100) at 150 K
    • Al adatom on Al(100) at 250 K

How-to guides

  • Run a score

Reference

  • Board
  • Codes
    • eOn
    • Eon svn
    • rgmin
    • rgsaddle
    • geodesic
    • ASE
    • Sella
    • GMIN
    • pele
    • OptKing
    • pARTn
    • TSASE
    • pyKMC
    • LAMMPS
    • DL-FIND
    • COMPASS
    • pysisyphus
    • OPTIM
    • n2p2
    • AIRSS
    • vc-SQNM
    • SoftSaddle
    • GPRidge
    • unknown
    • Pyamff
    • Gman
  • Changelog

Explanation

  • Methodology

Archive

  • Archive
  1. OptBench /
  2. Codes

Codes

Each code has its own page. The name is the registry page name. A ranked row is one version and one stock method. Archived rows that spell the same code are on that page.

Codes

The benchmark contributor is Rohit Goswami. Each code page lists the pinned versions and every ranked row for that code.

eOn Eon svn rgmin rgsaddle geodesic ASE Sella GMIN pele OptKing pARTn TSASE pyKMC LAMMPS DL-FIND COMPASS pysisyphus OPTIM n2p2 AIRSS vc-SQNM SoftSaddle GPRidge unknown Pyamff Gman
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2026, Rohit Goswami

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