Examples & Tutorials#
- Intro to adsorption energies
- Expert adsorption energies
- Introduction
- Enumerate the adsorbate-slab configurations to run relaxations on
- Run all the systems
- Parse the trajectories and post-process
- Make parity plots for values obtained by ML v. reported in the paper
- Make figure 6b and compare to literature results
- AdsorbML tutorial
- Transition State Search (NEBs)
- ocpapi