DeepConf: Leveraging ANI-ML Potentials for Exploring Local Minima with Application to Bioactive Conformations حسب Omer Tayfuroglu (4421407)

"…Our results show that the ANI-ML potentials can reproduce the bioactive conformations with mean value of the root-mean-square-deviation (RMSD) less than 0.5 Å, outperforming the limit of conventional methods. The code offers several features including but not limited to geometry optimization, fast conformer generations via single point energies (SPE), different minimization algorithms, different ML-potentials, or high-quality conformers in the smallest amount of ensemble sizes. …"

Mean HV. حسب Vahid Goodarzimehr (21343124)

"…MOSRS was robust in finding the best PF in most studied problems. The source codes of the MOSRS algorithm are publicly available at <a href="https://nimakhodadadi.com/algorithms-+-codes" target="_blank">https://nimakhodadadi.com/algorithms-+-codes</a>.…"

IGD results. حسب Vahid Goodarzimehr (21343124)

"…MOSRS was robust in finding the best PF in most studied problems. The source codes of the MOSRS algorithm are publicly available at <a href="https://nimakhodadadi.com/algorithms-+-codes" target="_blank">https://nimakhodadadi.com/algorithms-+-codes</a>.…"

Commonly used metaheuristics Hyperparameters. حسب Vahid Goodarzimehr (21343124)

"…MOSRS was robust in finding the best PF in most studied problems. The source codes of the MOSRS algorithm are publicly available at <a href="https://nimakhodadadi.com/algorithms-+-codes" target="_blank">https://nimakhodadadi.com/algorithms-+-codes</a>.…"

MOSRS’s pseudocode. حسب Vahid Goodarzimehr (21343124)

"…MOSRS was robust in finding the best PF in most studied problems. The source codes of the MOSRS algorithm are publicly available at <a href="https://nimakhodadadi.com/algorithms-+-codes" target="_blank">https://nimakhodadadi.com/algorithms-+-codes</a>.…"

The radius of this circular motion. حسب Vahid Goodarzimehr (21343124)

"…MOSRS was robust in finding the best PF in most studied problems. The source codes of the MOSRS algorithm are publicly available at <a href="https://nimakhodadadi.com/algorithms-+-codes" target="_blank">https://nimakhodadadi.com/algorithms-+-codes</a>.…"

Hardest general multi-objective problems. حسب Vahid Goodarzimehr (21343124)

"…MOSRS was robust in finding the best PF in most studied problems. The source codes of the MOSRS algorithm are publicly available at <a href="https://nimakhodadadi.com/algorithms-+-codes" target="_blank">https://nimakhodadadi.com/algorithms-+-codes</a>.…"

Friedman test for the Engineering problems. حسب Vahid Goodarzimehr (21343124)

"…MOSRS was robust in finding the best PF in most studied problems. The source codes of the MOSRS algorithm are publicly available at <a href="https://nimakhodadadi.com/algorithms-+-codes" target="_blank">https://nimakhodadadi.com/algorithms-+-codes</a>.…"

Schematic of some engineering problems [34]. حسب Vahid Goodarzimehr (21343124)

"…MOSRS was robust in finding the best PF in most studied problems. The source codes of the MOSRS algorithm are publicly available at <a href="https://nimakhodadadi.com/algorithms-+-codes" target="_blank">https://nimakhodadadi.com/algorithms-+-codes</a>.…"

The direction of the magnetic force [1]. حسب Vahid Goodarzimehr (21343124)

"…MOSRS was robust in finding the best PF in most studied problems. The source codes of the MOSRS algorithm are publicly available at <a href="https://nimakhodadadi.com/algorithms-+-codes" target="_blank">https://nimakhodadadi.com/algorithms-+-codes</a>.…"

Friedman tests for the CEC 2009 problems. حسب Vahid Goodarzimehr (21343124)

"…MOSRS was robust in finding the best PF in most studied problems. The source codes of the MOSRS algorithm are publicly available at <a href="https://nimakhodadadi.com/algorithms-+-codes" target="_blank">https://nimakhodadadi.com/algorithms-+-codes</a>.…"

PLOS Open Science Indicators حسب Public Library of Science (276459)

"…The v10 dataset focuses on detection of five Open Science practices by analysing the XML of published research articles:</p><ul><li>Sharing of research data, in particular data shared in data repositories</li><li>Sharing of code</li><li>Posting of preprints</li><li>Sharing of protocols</li><li>Sharing of study registrations</li></ul><p dir="ltr">The dataset provides data and code generation and sharing rates, the location of shared data and code (whether in Supporting Information or in an online repository). …"

TIR-Learner v3: New generation TE annotation program for identifying TIRs حسب Tianyu Lu (18856792)

Benchmark data and code for evaluating and enhancing spatial cognition abilities of large language models (LLMs) حسب Yang (16534473)

"…We present a benchmark assessing the spatial cognition abilities across seven categories to systematically evaluate how well LLMs process and generate the three types of spatial knowledge. Additionally, we propose Hybrid Mind, a tool-augmented approach that integrates LLMs with deterministic GIS algorithms to enhance their performance in spatial cognitive tasks. …"

How to Get MAD: Generating Uniformly Sampled Correlation Matrices with a Fixed Mean Absolute Discrepancy حسب Niels G. Waller (3844867)

"…An online supplement includes <math><mrow><mi>R</mi></mrow></math> code for implementing the algorithm and for reproducing all of the results in the article.…"

VIIDA and InViDe: computational approaches for generating and evaluating inclusive image paragraphs for the visually impaired حسب Daniel L. Fernandes (20416673)

"…A scene graph-based algorithm was then applied to structure final paragraphs. …"

Data and codes for the paper "Machine-Learning-Enabled Spatial Pattern Mining: Evaluating the Impact of Imperfect Inputs". حسب Zhili Li (18836803)

Generalized Internal Coordinates for Creative Exploration of Interatomic Geometries حسب Aleksandr V. Marenich (1283298)

"…The analytical first- and second-order derivatives with respect to Cartesian coordinates are built automatically to provide for the seamless integration of such GICs into geometry optimization, potential energy surface searching and scans, and normal-mode analysis in terms of internal coordinates, all without further coding. Our algorithm allows the user to create compound internal coordinates that are functions of other coordinates, as well as special-purpose coordinates for specific classes of problems. …"

Generalized Internal Coordinates for Creative Exploration of Interatomic Geometries حسب Aleksandr V. Marenich (1283298)

"…The analytical first- and second-order derivatives with respect to Cartesian coordinates are built automatically to provide for the seamless integration of such GICs into geometry optimization, potential energy surface searching and scans, and normal-mode analysis in terms of internal coordinates, all without further coding. Our algorithm allows the user to create compound internal coordinates that are functions of other coordinates, as well as special-purpose coordinates for specific classes of problems. …"

Generalized Internal Coordinates for Creative Exploration of Interatomic Geometries حسب Aleksandr V. Marenich (1283298)

"…The analytical first- and second-order derivatives with respect to Cartesian coordinates are built automatically to provide for the seamless integration of such GICs into geometry optimization, potential energy surface searching and scans, and normal-mode analysis in terms of internal coordinates, all without further coding. Our algorithm allows the user to create compound internal coordinates that are functions of other coordinates, as well as special-purpose coordinates for specific classes of problems. …"