transferable-samplers/many-peptides-md

[!IMPORTANT] Critical Update The original 8AA TICA models within subsampled_trajectories/*/8AA/*.npz employed a CA-only atom selection. These models are not valid for comparison to results in our paper. Updated files (uploaded 15/12/2025) now contain corrected models. If you previously downloaded this dataset, please re-download to ensure accurate results. Note: Codebase references to tica_features_ca must now be replaced with tica_features. This was resolved in our codebase by PR #26. Note:… See the full description on the dataset page: https://huggingface.co/datasets/transferable-samplers/many-peptides-md.