Multicomponent Unitary Coupled Cluster and Equation-of-Motion for Quantum Computation by Fabijan Pavošević (2181412)

“…Specifically, we introduce the multicomponent unitary coupled cluster (mcUCC) method combined with the VQE algorithm for the calculation of ground-state energies and wave functions as well as the multicomponent equation-of-motion (mcEOM) method for the calculation of excitation energies. …”

BOFdat: Generating biomass objective functions for genome-scale metabolic models from experimental data by Jean-Christophe Lachance (6619307)

“…Despite its importance, no standardized computational platform is currently available to generate species-specific biomass objective functions in a data-driven, unbiased fashion. To fill this gap in the metabolic modeling software ecosystem, we implemented BOFdat, a Python package for the definition of a <b>B</b>iomass <b>O</b>bjective <b>F</b>unction from experimental <b>dat</b>a. …”

Multiresolution Spectro-Temporal Sound Analysis (MRSTSA) algorithm. by Dario Dematties (6812390)

Python code for a rule-based NLP model for mapping circular economy indicators to SDGs by Zahir Barahmand (18008947)

“…The package includes:</p><ul><li>The complete Python codebase implementing the classification algorithm</li><li>A detailed manual outlining model features, requirements, and usage instructions</li><li>Sample input CSV files and corresponding processed output files to demonstrate functionality</li><li>Keyword dictionaries for all 17 SDGs, distinguishing strong and weak matches</li></ul><p dir="ltr">These materials enable full reproducibility of the study, facilitate adaptation for related research, and offer transparency in the methodological framework.…”

Recombinant mapping narrows region of interest to identify a loss-of-function allele of <i>mttp.</i> by McKenna Feltes (11242085)

Discovery of Protein Modifications Using Differential Tandem Mass Spectrometry Proteomics by Paolo Cifani (1575613)

“…Termed SAMPEI for spectral alignment-based modified peptide identification, this open-source algorithm is designed for the discovery of functional protein and peptide signaling modifications, without prior knowledge of their identities. …”

Discovery of Protein Modifications Using Differential Tandem Mass Spectrometry Proteomics by Paolo Cifani (1575613)

“…Termed SAMPEI for spectral alignment-based modified peptide identification, this open-source algorithm is designed for the discovery of functional protein and peptide signaling modifications, without prior knowledge of their identities. …”

Image of the ReLU function. by Mengqi Yuan (4852555)

The details of the Scelestial algorithm. by Mohammad-Hadi Foroughmand-Araabi (6658772)

Design and implementation of DelaySSA. The input data for DelaySSA are reaction information, initial states, parameters and delays. Combining these into the simulation function, th... by Ziyan Jin (21021976)

Linear relationship between ln(methadone concentration) and ln(methadone dose) by enantiomer and <i>CYP2B6</i> genotype function. by Andrew H. Talal (8727396)

Linear relationship between ln(methadone metabolism) and ln(methadone dose) by enantiomer and <i>CYP2B6</i> genotype function. by Andrew H. Talal (8727396)

Data repository for paper: "Variational approach to open quantum systems with long-range competing interactions" by Dawid Hryniuk (11488600)

Modeling with uniform <i>σ</i> values. by Giacomo Janson (8138517)

Determination of the time delay ‘differ’ between the corresponding peaks of the ECG and BP. by Qiong Yu (446491)

Effect of <i>|Δd</i>_<i>n</i><i>|</i> perturbation on 3D modeling. by Giacomo Janson (8138517)

Revisiting the “satisfaction of spatial restraints” approach of MODELLER for protein homology modeling by Giacomo Janson (8138517)

“…This program implements the “modeling by satisfaction of spatial restraints” strategy and its core algorithm has not been altered significantly since the early 1990s. …”

Tradeoff between detection sensitivity and specificity. by Nathan Duarte (11014998)

Impact of increasing adherence under different technology assumptions. by Nathan Duarte (11014998)

Impact of increasing uptake under different technology assumptions. by Nathan Duarte (11014998)