Performance metrics for ProSmith and ESP for the prediction of enzyme-substrate pairs. حسب Alexander Kroll (9304225)

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We divided the ESP test set into subsets according to the maximal sequence identity of an enzyme compared to all training enzymes. حسب Alexander Kroll (9304225)

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Drug-target affinity predictions improve with increasing drug similarity score compared to the training drugs. حسب Alexander Kroll (9304225)

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Performance metrics of ProSmith and previously published methods for the prediction of Michaelis constants <i>K</i>_M. حسب Alexander Kroll (9304225)

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ProSmith outperforms previous models in the prediction of Michaelis constants <i>K</i>_M especially for enzymes not highly similar to proteins in the training set. حسب Alexander Kroll (9304225)

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ProSmith model overview. حسب Alexander Kroll (9304225)

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Hyperparameters of the ProSmith Transformer Network. حسب Alexander Kroll (9304225)

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Enzyme-substrate pair predictions improve with increasing substrate similarity compared to training substrates. حسب Alexander Kroll (9304225)

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Hyperparameters of the ProSmith gradient boosting models. حسب Alexander Kroll (9304225)

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Optimal implementation of matrix operations on the CPU platform (double precision; solid black line = benchmarked bandwidth; lines + symbols = effective bandwidth; black = COPY2D;... حسب Xuzhen He (14676114)

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Python software for calculating the area under a curve حسب Wenfa Ng (444092)

"…Modularity in the software code ensures that the Python software can be readily adapted to calculate the area under the curve for other mathematical functions. …"

Total concentration of Burmese python eDNA at colony (dark grey bars) and control (light grey bars) pairs with 95% confidence intervals. حسب Sophia C. M. Orzechowski (6577349)

Collision Efficiency Parameter Influence on Pressure-Dependent Rate Constant Calculations Using the SS-QRRK Theory حسب E. Grajales-González (6083633)

"…To overcome this underestimation problem, we evaluated and implemented in a bespoke Python code two alternative definitions for the collision efficiency using the SS-QRRK theory and tested their performance by comparing the pressure-dependent rate constants with the Rice–Ramsperger–Kassel–Marcus/Master Equation (RRKM/ME) results. …"

Collision Efficiency Parameter Influence on Pressure-Dependent Rate Constant Calculations Using the SS-QRRK Theory حسب E. Grajales-González (6083633)

"…To overcome this underestimation problem, we evaluated and implemented in a bespoke Python code two alternative definitions for the collision efficiency using the SS-QRRK theory and tested their performance by comparing the pressure-dependent rate constants with the Rice–Ramsperger–Kassel–Marcus/Master Equation (RRKM/ME) results. …"

Example plots of PSDs with per-frame tracking errors. حسب Ian L. Morgan (11890568)

python3 software to reproduce Figs 6, 7 and 8. حسب Stéphane Plaszczynski (14992817)

code implementing the finite element method and finite difference method from Hybrid PDE-ODE Models for Efficient Simulation of Infection Spread in Epidemiology حسب Kristina Maier (20520371)

"…This dataset contains code implementing the finite element method based on Kaskade 7 (C++) and code implementing the finite difference method (Python) for the development of hybrid PDE-ODE models aimed at efficiently simulating infection spread in epidemiology. …"

GraSPy: an Open Source Python Package for Statistical Connectomics حسب Benjamin Pedigo (6580352)

"…We developed GraSPy, an open-source Python toolkit for statistical inference on graphs. …"

Overview of MicNet toolbox. حسب Natalia Favila (12936672)

Example plots of AV values for data with per-frame tracking errors. حسب Ian L. Morgan (11890568)