woodsh17 ecf161b4e2 Move cyclic_reses initialization to a helper function and call it for Sampler and ScaffoldedSampler

2025-11-18 15:43:09 -06:00

..

__init__.py

restructuring library as a python module

2023-04-03 14:33:05 -07:00

model_runners.py

Move cyclic_reses initialization to a helper function and call it for Sampler and ScaffoldedSampler

2025-11-18 15:43:09 -06:00

sym_rots.npz

restructuring library as a python module

2023-04-03 14:33:05 -07:00

symmetry.py

Fixed model_only_neighbors typo

2023-06-22 10:03:14 -07:00

utils.py

Reverting changes to flag name, so you still use scaffoldguided.scaffoldguided=True instead of scaffoldguided_enabled

2025-11-18 12:26:26 -06:00