Datasetpublic

aaronfeller/peptideclm-2-pretraining-data

PeptideMTR Training Data This repository contains the dataset for the PeptideMTR paper. It is designed for SMILES encoder models trained by masked-language modeling (MLM) and/or multi-target regression (MTR) tasks, focusing on mapping peptide sequences to biochemical properties. Link to the manuscript will be added here when available. Dataset Summary The dataset includes peptide sequences paired with 99 RDKit-derived descriptors representing various… See the full description on the dataset page: https://huggingface.co/datasets/aaronfeller/peptideclm-2-pretraining-data.

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Dataset Card

PeptideMTR Training Data

This repository contains the dataset for the PeptideMTR paper. It is designed for SMILES encoder models trained by masked-language modeling (MLM) and/or multi-target regression (MTR) tasks, focusing on mapping peptide sequences to biochemical properties.

Link to the manuscript will be added here when available.

Dataset Summary

The dataset includes peptide sequences paired with 99 RDKit-derived descriptors representing various physicochemical properties (e.g., molecular weight, LogP, surface area, and charge descriptors).

Data Structure

—SMILES: The SMILES representation of the molecule.
—descriptors: 99 continuous numerical features generated via RDKit.

Usage

To use this dataset with the Hugging Face datasets library:

python

from datasets import load_dataset

ds = load_dataset("your-username/PeptideMTR_training_data")