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Dataset . 2026
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2026
License: CC BY
Data sources: Datacite
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Training and evaluation datasets for the TmProt tool

Authors: Pailozian, Karen; Kohout, Pavel; Damborsky, Jiri; Mazurenko, Stanislav;

Training and evaluation datasets for the TmProt tool

Abstract

These datasets were used for training and evaluating TmProt 1.0, a protein melting temperature (Tm) predictor based on LoRA-adapted ESM-2 embeddings. The source code is available at the GitHub repository. ProMelt: Training Dataset ProMelt (train_promelt_seq.csv, val_promelt_seq.csv, test_promelt_seq.csv) comprises 45,441 proteins assembled from two proteomics-based sources: Meltome Atlas (Jarzab A et al., 2020) and ProThermDB (Nikam R et al., 2021). Sequences were filtered to lengths of 20–2,000 amino acids and deduplicated by UniProt ID. Proteins overlapping with the independent validation sets were removed before training. The dataset was split at 25% maximum sequence identity using USEARCH into training (77.1%, n = 35,054), validation (8.6%, n = 3,895), and test (14.3%, n = 6,492) subsets to prevent data leakage. Independent Biophysics-Based Validation Datasets Five datasets assembled from low-throughput biophysical experiments, used exclusively for benchmarking: BRENDA (BRENDA.csv, n = 321): Wild-type enzymes with Tm values manually curated from the BRENDA enzyme database (Chang A et al., 2021), accessed January 2025. Filtered to neutral pH, wild-type entries only, and measurements free of exogenous ligands, ions, or apoenzyme annotations. FireProt (FIREPROT.csv, n = 94): Wild-type protein Tm values extracted from FireProtDB (Stourac J et al., 2021), accessed June 2023. A manually curated thermostability database of literature-derived and experimentally validated entries. ERED_WT / ERED_ASR (ERED_WT.csv, n = 39; ERED_ASR.csv, n = 44): Ene reductases (390–417 residues) comprising wild-type proteins and variants designed via ancestral sequence reconstruction (ASR) for enhanced thermostability (Livada J et al., 2023). Tm measured by differential scanning fluorimetry (DSF); range 37–67°C. CAS (CAS.csv, n = 29): CRISPR-Cas Class II effector proteins (1,049–1,535 residues) (Pudžiuvelytė I et al., 2024). Tm values span 33–67°C, measured by nano differential scanning fluorimetry (nanoDSF). HLD (HLD.csv, n = 24): Haloalkane dehalogenases (271–336 residues) obtained through genome mining (Vasina M et al., 2022). Tm values range 35.2–58.7°C, measured by DSF. For more details about the tool, please get in touch with us.

Keywords

protein language model, ESM, machine learning, enzyme discovery, benchmarking, protein, melting temperature, LoRA, thermostability

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average