← F0001: A g-xTB benchmark set of 29,833 Reaction-QM transition states for testing reaction-path searches
F0001 · Version 1 · Files
reproduce/rerun/src/benchmark/
| Name | Size |
|---|---|
../ | |
__init__.py | 70 B |
reaction_qm.py | 11 KB |
screen_gxtb.py | 14 KB |