Interpretation of Phase Boundary Fluctuation Spectra in Biological Membranes with Nanoscale Organization by Sahithya S. Iyer (8604096)

Subjects:

Comparison of algorithms in two cases. by Yi Tao (178829)

Subjects: “…evolutionary genetic algorithm…”

Flow of the NSGA-II algorithm. by Yi Tao (178829)

Subjects: “…evolutionary genetic algorithm…”

ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “<i>N</i>” Dimensional Sub-Hilbert Space by Koushik Naskar (7510592)

“…The “ADT” program can be efficiently used to (a) formulate analytic functional forms of differential equations for ADT angles and diabatic potential energy matrix and (b) solve the set of coupled differential equations numerically to evaluate ADT angles, residue due to singularity­(ies), ADT matrices, and finally, diabatic potential energy surfaces (PESs). …”

A Python Package for the Localization of Protein Modifications in Mass Spectrometry Data by Anthony S. Barente (14035175)

Subjects:

Meta data for selected plots of "Optimal sampling of tensor networks targeting wave function’s fast decaying tails" by Marco Ballarin (17780767)

Python implementation of the Trajectory Adaptive Multilevel Sampling algorithm for rare events and improvements by Pascal Wang (10130612)

“…<div>This directory contains Python 3 scripts implementing the Trajectory Adaptive Multilevel Sampling algorithm (TAMS), a variant of Adaptive Multilevel Splitting (AMS), for the study of rare events. …”

Fig 8 - by Maryam Shadi (14237349)

Subjects:

Fig 9 - by Maryam Shadi (14237349)

Subjects:

Show parameter <i>N</i>_<i>x</i> for different topologies. by Maryam Shadi (14237349)

Subjects:

Fig 5 - by Maryam Shadi (14237349)

Subjects:

Fig 11 - by Maryam Shadi (14237349)

Subjects:

Fig 3 - by Maryam Shadi (14237349)

Subjects:

Fig 6 - by Maryam Shadi (14237349)

Subjects:

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. …”

Figures and supplemental figures for "Optimal sampling of tensor networks targeting wave function’s fast decaying tails" by Marco Ballarin (17780767)

“…<p dir="ltr">Figures and supplemental figures for "Optimal sampling of tensor networks targeting wave function’s fast decaying tails". The supplemental figures are the data from the "Dibona" machine regarding the energy consumption of the algorithm. …”

Animations as supplemental material for "Optimal sampling of tensor networks targeting wave function’s fast decaying tails" by Marco Ballarin (17780767)

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. …”

The schematic view of the Radial Basis Function (RBF) algorithm. by Mohsen Yoosefzadeh-Najafabadi (6917399)

<i>Ab Initio</i> Computation of Rotationally-Averaged Pump–Probe X‑ray and Electron Diffraction Signals by Robert M. Parrish (1703710)

Subjects: