← F0001: A g-xTB benchmark set of 31,617 Reaction-QM transition states for testing reaction-path searches
F0001 · Version 3 · Files
reproduce/rerun/
| Name | Size |
|---|---|
../ | |
benchmark.py | 94 KB |
ids.txt | 937 KB |
quick_rerun.py | 2.7 KB |