niklastr/microsolvated_peptides
Microsolvated Peptide Ensembles This repository provides explicit-water microsolvated structures for a subset of peptides initialized from ManyPeptidesMD conformers. Overview Path Model Use trajectories/v1/ Amber14 in TIP3P, cropped to the nearest 128 waters Peptide-solvent sampling webdatasets/v1/train_300K/ Streamable samples from the 300 K state Model training webdatasets/v1/train_300-500K/ Streamable samples from all REMD states… See the full description on the dataset page: https://huggingface.co/datasets/niklastr/microsolvated_peptides.
Conversations for this repository live on Hugging Face.
CoolFace shows imported repositories read-only. Posting into someone else’s repository from here would need an authorised integration and the account holder’s consent, so the link goes to the source instead.
Open discussions on Hugging Face