Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results by Se-Hee Jo (20554623)

“…A major challenge in bioprocess simulation is the lack of physical and chemical property databases for biochemicals. A Python-based algorithm was developed for estimating the nonrandom two-liquid (NRTL) model parameters of aqueous binary systems in a straightforward manner from simplified molecular-input line-entry specification (SMILES) strings of substances in a system. …”

FAR-1: A Fast Integer Reduction Algorithm Compared to Collatz and Half-Collatz by Faizan Ali (21689861)

Subjects:

The algorithm is designed to identify patterns in the treatment dataset. by Belén Otero-Carrasco (21262360)

“…<p>This process involves two key functions. First, from lines 1 to 8, the algorithm identifies amino acids that meet the occurrence threshold, starting with patterns of length 1. …”

NRPStransformer, an Accurate Adenylation Domain Specificity Prediction Algorithm for Genome Mining of Nonribosomal Peptides by Zhihan Zhang (1403308)

“…Leveraging the sequences within the flavodoxin-like subdomain, we developed a substrate specificity prediction algorithm using a protein language model, achieving 92% overall prediction accuracy for 43 frequently observed amino acids, significantly improving the prediction reliability. …”

Cost functions implemented in Neuroptimus. by Máté Mohácsi (20469514)

PATH has state-of-the-art performance versus previous binding affinity prediction algorithms. by Yuxi Long (11024307)

Subjects:

MEDOC: A Fast, Scalable, and Mathematically Exact Algorithm for the Site-Specific Prediction of the Protonation Degree in Large Disordered Proteins by Martin J. Fossat (3714079)

Subjects: “…mathematically exact algorithm…”

A Chemoproteomic Approach for System-Wide and Site-Specific Uncovering of Functional Protein N‑Glycosylation by Guoli Wang (59357)

Subjects:

Strong negative correlation between the precision of algorithms and the evolutionary distance from the training data. by Sven B. Gould (12237287)

<b>Opti2Phase</b>: Python scripts for two-stage focal reducer by Morgan Najera (21540776)

“…</li></ul><p dir="ltr">The scripts rely on the following Python packages. Where available, repository links are provided:</p><ol><li><b>NumPy</b>, version 1.22.1</li><li><b>SciPy</b>, version 1.7.3</li><li><b>PyGAD</b>, version 3.0.1 — https://pygad.readthedocs.io/en/latest/#</li><li><b>bees-algorithm</b>, version 1.0.2 — https://pypi.org/project/bees-algorithm</li><li><b>KrakenOS</b>, version 1.0.0.19 — https://github.com/Garchupiter/Kraken-Optical-Simulator</li><li><b>matplotlib</b>, version 3.5.2</li></ol><p dir="ltr">All scripts are modular and organized to reflect the design stages described in the manuscript.…”

A framework for improving localisation prediction algorithms. by Sven B. Gould (12237287)

“…One can expect that the combination of multi-dimensional parameters from evolutionary biology, cell biology and molecular biology on evolutionary diverse species will significantly improve the next generation of machine leaning algorithms that serve localisation (and function) predictions.…”

Top 15 hub genes in five algorithms. by Tianqi Liu (1625776)

Morpheus: A fragment-based algorithm to predict metamorphic behaviour in proteins across proteomes by Vijay Subramanian (20718933)

“…Algorithms that can accurately annotate fold-switching proteins from sequence information can help uncover the true extent of the “metamorphome”. …”

Scatter plots of PATH⁺ and our implementation of TNet-BP’s predictions on a held-out, test subset of PDBBind v2020 refined set for one run (90:10 train:test split ratio,... by Yuxi Long (11024307)

Subjects:

Visualization by PaCMAP [52] shows that persistence fingerprint clusters protein-ligand complexes with similar binding affinity reasonably well, even beyond the training dataset (P... by Yuxi Long (11024307)

Subjects:

Pipeline of the interactor algorithm. by Jose Cleydson F. Silva (8685594)

EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit by Gonzalo Colmenarejo (650249)

“…In this paper, a new RDKit/Python implementation of the algorithm is described, that is both accurate and complete. …”

Construction of internuclear persistence contours (IPCs). by Yuxi Long (11024307)

Subjects:

An overview of PATH⁺. by Yuxi Long (11024307)

Subjects:

The 10 features captured by persistence fingerprint. by Yuxi Long (11024307)

Subjects: