datasets
Training and evaluation data, with the modality, task and licence stated up front. Listed live from the Hugging Face Hub.
Rosetta-Activations
Rosetta Activations
Updated: 2026-06-15 02:30 UTC
Contrastive activation extractions for 17 semantic concepts across 46 language models,
supporting cross-architecture mechanistic interpretability research.
Companion concept pair corpus: jamesrahenry/Rosetta_Concept_Pairs
Papers: forthcoming
Dataset Structure
Rosetta-Activations/
├── rcp_v1/ # Current extraction line — richest data (N≈2000)
│ └── {Model_Name}/
│ ├── calibration_{concept}.npy… See the full description on the dataset page: https://huggingface.co/datasets/james-ra-henry/Rosetta-Activations.SAbDab_raw
All raw data from The Structural Antibody Database (SAbDab)
Quickstart Usage
Install HuggingFace Datasets package
Each subset can be loaded into python using the Huggingface datasets library.
First, from the command line install the datasets library
$ pip install datasets
Optionally set the cache directory, e.g.
$ HF_HOME=${HOME}/.cache/huggingface/
$ export HF_HOME
then, from within python load the datasets library
>>> import datasets… See the full description on the dataset page: https://huggingface.co/datasets/RosettaCommons/SAbDab_raw.rosetta-code
Dataset Card for the Rosetta Code Dataset
Dataset Summary
Rosetta Code is a programming chrestomathy site. The idea is to present solutions to the same task in as many different languages as possible, to demonstrate how languages are similar and different, and to aid a person with a grounding in one approach to a problem in learning another. Rosetta Code currently has 1,203 tasks, 389 draft tasks, and is aware of 883 languages, though we do not (and cannot) have… See the full description on the dataset page: https://huggingface.co/datasets/christopher/rosetta-code.MIP
Microbiome Immunity Project: Protein Universe
~200,000 predicted structures for diverse protein sequences from 1,003
representative genomes across the microbial tree of life and annotate
them functionally on a per-residue basis.
Quickstart Usage
Install HuggingFace Datasets package
Each subset can be loaded into python using the Huggingface datasets library.
First, from the command line install the datasets library
$ pip install datasets
Optionally set the… See the full description on the dataset page: https://huggingface.co/datasets/RosettaCommons/MIP.rosettacode-rawProteinMPNN
Curated ProteinMPNN training dataset
The multi-chain training data for ProteinMPNN
Quickstart Usage
Install HuggingFace Datasets package
Each subset can be loaded into python using the Huggingface datasets library.
First, from the command line install the datasets library
$ pip install datasets
Optionally set the cache directory, e.g.
$ HF_HOME=${HOME}/.cache/huggingface/
$ export HF_HOME
then, from within python load the datasets library
>>> import datasets… See the full description on the dataset page: https://huggingface.co/datasets/RosettaCommons/ProteinMPNN.MegaScale
Mega-scale experimental analysis of protein folding stability in biology and design
The full MegaScale dataset contains 1,841,285 thermodynamic folding stability measurements
using cDNA display proteolysis of natural and designed proteins. From these 776,298 high-quality folding
stabilities (dataset2) cover all single amino acid variants and selected double mutants of 331 natural
and 148 de novo designed protein domains 40–72 amino acids in length. Of these mutations, 607,839 have… See the full description on the dataset page: https://huggingface.co/datasets/RosettaCommons/MegaScale.SAAINTDB
SAAINTDB
This dataset is a curated version of the SAAINT-DB converted into a format compatible with the Hugging Face Datasets for machine learning applications.
The dataset contains 21,400 antibody entries derived from 11,304 PDB structures, reflecting the available structures as of February 2026. Each entry corresponds to an antibody chain and is uniquely identified using the PDB_ID_chain field (PDB ID + chain ID).
Dataset Splits
The dataset was split at the PDB… See the full description on the dataset page: https://huggingface.co/datasets/RosettaCommons/SAAINTDB.SAbDab
ML Application Curated SAbDab
Quickstart Usage
Install HuggingFace Datasets package
Each subset can be loaded into python using the Huggingface datasets library.
First, from the command line install the datasets library
$ pip install datasets
Optionally set the cache directory, e.g.
$ HF_HOME=${HOME}/.cache/huggingface/
$ export HF_HOME
then, from within python load the datasets library
>>> import datasets
Load model datasets
To load… See the full description on the dataset page: https://huggingface.co/datasets/RosettaCommons/SAbDab.esa-rosetta-observations
ESA Rosetta Observations
Credit: NASA/ESA
Part of the Solar System Datasets and Planetary Science Datasets collections on Hugging Face.
Complete observation metadata catalog from the ESA Rosetta mission to Comet 67P/Churyumov-Gerasimenko — 8,214,033
observations across 15 instruments.
Dataset description
Rosetta was ESA's groundbreaking mission to Comet 67P/Churyumov-Gerasimenko. Launched in 2004, it became the first spacecraft to orbit a comet (August 2014) and… See the full description on the dataset page: https://huggingface.co/datasets/juliensimon/esa-rosetta-observations.AfCycDesign
Dataset Card for AfCycDesign
Hallucinated scaffolds used by AfCycDesign for cyclic peptide design.
Dataset Details
Sets 7-16 of hallucinated peptide cif files and experimental CCDC structures.
Dataset Description
This dataset contains hallucinated cyclic peptide scaffold structures (in CIF format) generated using AfCycDesign, a deep learning approach built on AlphaFold2 for de novo design of cyclic peptides. The scaffolds span peptide lengths of 7–16 residues… See the full description on the dataset page: https://huggingface.co/datasets/RosettaCommons/AfCycDesign.rosettacode-parsed
Data Origins
Original dataset: https://huggingface.co/datasets/jondurbin/rosettacode-raw/
Cleaner code: https://github.com/the-crypt-keeper/rosettacode-parser
Data Fields
Field
Type
Description
title
string
problem title
task
string
problem description
language
string
solution language/variant
soulution
string
solution source code
Languages
One .jsonl is provided per language group, the sublanguage field in the data denotes the… See the full description on the dataset page: https://huggingface.co/datasets/mike-ravkine/rosettacode-parsed.FireProtDB2
Dataset Card for FireProtDB_2.0
Subsets of protein stability data for single-point mutants from FireProtDB, a comprehensive curated database.
Dataset Details
Subsets of different thermal data of single-point mutations in the FireProtDB database with train/validation/test splits:
ΔG, ΔΔG
Tm, ΔTm
Fitness
Stabilizing
Dataset Description
This dataset contains curated subsets of various thermal stability measurements derived from FireProtDB. Subsets… See the full description on the dataset page: https://huggingface.co/datasets/RosettaCommons/FireProtDB2.PISCES-CulledPDB
PISCES-CulledPDB database as of January 2026
Recurated on Hugging Face on March 5th 2026
The PISCES dataset provides curated sets of protein sequences from the Protein Data Bank (PDB) based on sequence identity and structural quality criteria. PISCES yields non-redundant subsets of protein chains by applying filters such as sequence identity, experimental resolution, R-factor, chain length, and experimental method (e.g., X-ray, NMR, cryo-EM). The goal is to maximize structural… See the full description on the dataset page: https://huggingface.co/datasets/RosettaCommons/PISCES-CulledPDB.PTMint
PTMint
This dataset is derived from PTMint (https://ptmint.sjtu.edu.cn/), (Post Translational Modifications that are associated with Protein-Protein Interactions) that contains manually curated complete experimental evidence of the PTM effecting on protein-protein interactions in multiple organisms, including H. sapines, A. thaliana, C. elegans, D. melanogaster, S. cerevisiae and S. pombe.
This Hugging Face dataset repository provides PTMint-derived tables including a precomputed… See the full description on the dataset page: https://huggingface.co/datasets/RosettaCommons/PTMint.rosettafold3-assets
LevinHarness/rosettafold3-assets — public mirror of third-party runtime assets
This dataset is a public mirror of third-party runtime assets
required by the Levin Harness plugin(s) listed below, mirrored
verbatim from their original sources with SHA-256 pinning. It is
not an official distribution: nothing here is published under
this account's own terms, and it is not affiliated with or endorsed
by any upstream project.
Ownership and licensing
Every file remains… See the full description on the dataset page: https://huggingface.co/datasets/LevinHarness/rosettafold3-assets.RosettaCodeDataSet1NAKBOriginal Paper:
Lawson CL, Berman HM, Vallat B, Chen L, Zirbel C (2024) The Nucleic Acid Knowledgebase: a new portal for 3D structural information about nucleic acids. Nucleic Acids Research 52, D245-D254.
https://doi.org/10.1093/nar/gkad957
Nucleic Acid Knowledgebase (NAKB)
NAKB data set contains 21166 structures including Nucleic Acids, Protein, and Ligand Annotations, and determined 3D structures found in the Nucleic Acid Database (NDB) and the Protein Data Bank (PDB), including… See the full description on the dataset page: https://huggingface.co/datasets/RosettaCommons/NAKB.leetcode-rosetta-processed-with-test-casesrosettacode-10Instruction/response formatted rosettacode.org tasks/solutions for:
c++
c
c#
go
java
javascript
kotlin
lua
python
ruby
FPbase
FPbase: The Fluorescent Protein Database
FPbase is a free, open-source, community-editable database of fluorescent proteins and their properties, aimed at aggregating structured, searchable information useful to the imaging community and FP developers. Visit fpbase.org for more.
This dataset updated on ,March 1st, 2026, collects FPbase fluorescent protein records (e.g., names, identifiers, sequences, and photophysical properties) for downstream analysis and modeling.… See the full description on the dataset page: https://huggingface.co/datasets/RosettaCommons/FPbase.IsItABarrel
IsItABarrel
This dataset contains 1,881,712 sequences collected from 600 different bacterial proteomes with sequences ranked by their likelihood of encoding a TMBB.
QuickStart Usage
Install HuggingFace Datasets package
Each subset can be loaded into python using the HuggingFace datasets library. First, from the command line install the datasets library
$ pip install datasets
Optionally set the cache directory, e.g.
$ HF_HOME=${HOME}/.cache/huggingface/
$… See the full description on the dataset page: https://huggingface.co/datasets/RosettaCommons/IsItABarrel.transfer-bench-Rosetta-runs-archive
transfer-bench-Rosetta-runs-archive
Archive of run artifacts for the transfer-bench Rosetta project — a CUDA→Ascend NPU
migration self-play adversarial evaluation system (solver / verifier / referee triangle).
Source code: https://github.com/foreverCuSO4/transfer-bench-Rosetta
Packaged 2026-09-07 before host migration.
Contents
archive
source tree
notes
runs/<run-id>.tar.gz
selfplay/runs/
15 Harbor fleet runs (mini-swe-agent solver + opencode verifier +… See the full description on the dataset page: https://huggingface.co/datasets/foreverCuSO4/transfer-bench-Rosetta-runs-archive.UTexasAptamer
UT Aptamer Dataset
This is a collection of 1480 aptamer sequences from the University of Texas Aptamer Database as of 2023. This dataset is split into three subsets (train, test, and validation) based on clustering by CD-HIT.
Clustering
Clustering was conducting using the CD-HIT: Cluster Database at High Identity with Tolerance web browser using a 40% sequence identity threshold and word size of 2. To update this dataset with new reported aptamers, splits can be… See the full description on the dataset page: https://huggingface.co/datasets/RosettaCommons/UTexasAptamer.PRIDE_Crosslinking_Archive
PRIDE Crosslinking Archive
This dataset aggregates publicly available crosslinking mass spectrometry (XL-MS) datasets from the PRIDE repository.
Each dataset is curated and categorized by crosslinking reagent a link type (inter-chain vs intra-chain). For intra-chain links where the protein can be mapped to a
UniProt ID, each link is mapped onto the corresponding AlphaFold Database (AFDB) structure, and the Cα-Cα distance for the linked residue pair is reported.
The result is a… See the full description on the dataset page: https://huggingface.co/datasets/RosettaCommons/PRIDE_Crosslinking_Archive.AbAgym
AbAgym
AbAgym is a curated dataset of deep mutational scanning (DMS) measurements for antibody-antigen complexes. This Hugging Face version reorganizes the original AbAgym files into loadable dataset configurations using Apache Parquet, while preserving the original structure archive.
The original AbAgym repository describes the dataset as containing 68 DMS datasets on antibody-antigen complexes, approximately 324,000 non-redundant mutations, 36,541 non-redundant interface mutations… See the full description on the dataset page: https://huggingface.co/datasets/RosettaCommons/AbAgym.dataset-rosetta-testCatPred-DB
CatPred-DB: Enzyme Kinetic Parameters Database
Paper: CatPred: A comprehensive framework for deep learning in vitro enzyme kinetic parameters
GitHub: https://github.com/maranasgroup/CatPred-DB
Dataset Description
CatPred-DB contains the benchmark datasets introduced alongside the CatPred deep learning framework for predicting in vitro enzyme kinetic parameters. The datasets cover three key kinetic parameters:
Parameter
Description
Datapoints
kcat
Turnover… See the full description on the dataset page: https://huggingface.co/datasets/RosettaCommons/CatPred-DB.rosettafold3-assets
LevinHarness/rosettafold3-assets — public mirror of third-party runtime assets
This dataset is a public mirror of third-party runtime assets
required by the Levin Harness plugin(s) listed below, mirrored
verbatim from their original sources with SHA-256 pinning. It is
not an official distribution: nothing here is published under
this account's own terms, and it is not affiliated with or endorsed
by any upstream project.
Ownership and licensing
Every file remains… See the full description on the dataset page: https://huggingface.co/datasets/sgetttt/rosettafold3-assets.2J-Protein-Couplings2J-Protein-Coupling Dataset
This data set was curated from the paper below accessed through the Biological Magnetic Resonance Data Bank (BMRB). There are a total of 3999 2J coupling taken from 5 different proteins and up to 10 different experiments. This dataset contains information regarding PDB ID, Sequence, 2J coupling data of 15N, 13C, and 1H. Data was curated and organized into this set of the five papers below, with the addition of the sequence taken from the Protein Data Bank.
Raw Data… See the full description on the dataset page: https://huggingface.co/datasets/RosettaCommons/2J-Protein-Couplings.