Dataset · Hugging Face

niklastr/solvated_peptides

Name: solvated_peptides
Creator: niklastr
License: cc-by-4.0
Keywords: language:en, license:cc-by-4.0, doi:10.57967/hf/9697, region:us, molecular-dynamics, molecular-simulation, peptides, implicit-solvent, microsolvation, chemistry, generative-modeling

Neutral Peptide Ensembles Molecular-dynamics ensembles combining matched neutral peptide samples from vacuum REMD, ManyPeptidesMD OBC1 implicit-solvent trajectories, and neutral microsolvated peptide frames. The vacuum and microsolvated ensembles are initialized from ManyPeptidesMD conformers. Overview Path Model Use webdatasets/v1/joint_neutral/base_temperature/ Amber14 vacuum, Amber14/OBC1, and Amber14/TIP3P microsolvated clusters 300 K training… See the full description on the dataset page: https://huggingface.co/datasets/niklastr/solvated_peptides.

View on Hugging FaceReport an issue

Author / organization	niklastr
License (as declared)	cc-by-4.0
Downloads	1.4K (as reported by Hugging Face)
Likes	3
Created	21 July 2026
Last updated at source	22 August 2026

molecular-dynamicsmolecular-simulationpeptidesimplicit-solventmicrosolvationchemistrygenerative-modeling

Embed this entry

<iframe src="https://silytics.si/embed/item/22214661-768c-4e3f-8e2f-3ad3d4eacfec" width="420" height="190" style="border:0" loading="lazy" title="Silytics entry"></iframe>

Free, no tracking. More about feeds and embeds.

Popularity, last 3 days

1,380 now (+63 since 2026-10-16). Counts as reported by the source, snapshotted daily by Silytics.

More from niklastr

Silytics shows public metadata from Hugging Face and links to the original. Information may be incomplete or out of date. Last refreshed 18 October 2026. Licenses and terms of the original apply to the work itself. Not financial, legal or professional advice.