Výsledky vyhledávání - python ((program documentation) OR (property documentation))

Pickaxe: a Python library for the prediction of novel metabolic reactions Autor Shebek, Kevin M., Strutz, Jonathan, Broadbelt, Linda J., Tyo, Keith E. J.

“… for a user’s application due to lack of exhaustive reaction rules, restriction to pre-computed networks, and difficulty in using the software due to lack of documentation…”
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Stingray: A Modern Python Library for Spectral Timing Autor Huppenkothen, Daniela, Bachetti, Matteo, Stevens, Abigail L., Migliari, Simone, Balm, Paul, Hammad, Omar, Khan, Usman Mahmood, Mishra, Himanshu, Rashid, Haroon, Sharma, Swapnil, Ribeiro, Evandro Martinez, Blanco, Ricardo Valles

“…This paper describes the design and implementation of stingray, a library in Python built to perform time series analysis and related tasks on astronomical light curves…”
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The RaPID-Ω system: Room and proctor intelligent decider for large scale tests programming Autor Morales, Fernando

“…We present the documentation and mathematical modeling of the open-box system RaPID…”
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Mordred: a molecular descriptor calculator Autor Moriwaki, Hirotomo, Tian, Yu-Shi, Kawashita, Norihito, Takagi, Tatsuya

“… Various molecular-descriptor-calculation software programs have been developed. However, users of those programs must contend with several issues, including software bugs, insufficient update frequencies, and software licensing constraints…”
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A fast and efficient python library for interfacing with the Biological Magnetic Resonance Data Bank Autor Smelter, Andrey, Astra, Morgan, Moseley, Hunter N. B.

“…) spectroscopic data of biological macromolecules. It is an important resource for many researchers using NMR to study structural, biophysical, and biochemical properties of biological macromolecule…”
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Metis: a python-based user interface to collect expert feedback for generative chemistry models Autor Menke, Janosch, Nahal, Yasmine, Bjerrum, Esben Jannik, Kabeshov, Mikhail, Kaski, Samuel, Engkvist, Ola

“… Metis is a Python-based open-source graphical user interface (GUI), designed to solve this and enable the collection of chemists…”
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PyXtal: A Python library for crystal structure generation and symmetry analysis Autor Fredericks, Scott, Parrish, Kevin, Sayre, Dean, Zhu, Qiang

“…We present PyXtal, a new package based on the Python programming language, used to generate structures with specific symmetry and chemical compositions for both atomic and molecular systems…”
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Simulation and Exergy Analysis of Energy Conversion Processes Using a Free and Open-Source Framework—Python-Based Object-Oriented Programming for Gas- and Steam Turbine Cycles Autor Zoder, Marius, Balke, Janosch, Hofmann, Mathias, Tsatsaronis, George

“… The procedure to transform a physical model into a Python-based simulation program is shown. The article contains a solving algorithm for a precise gas turbine model with sophisticated equations of state…”
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pyIAST: Ideal adsorbed solution theory (IAST) Python package Autor Simon, Cory M., Smit, Berend, Haranczyk, Maciej

“…://github.com/CorySimon/pyIAST Documentation: http://pyiast.readthedocs.org/en/latest/ Program title…”
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ARC 3.0: An expanded Python toolbox for atomic physics calculations Autor Robertson, E.J., Šibalić, N., Potvliege, R.M., Jones, M.P.A.

“…ARC 3.0 is a modular, object-oriented Python library combining data and algorithms to enable the calculation of a range of properties of alkali and divalent atoms…”
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Grid: A Python library for molecular integration, interpolation, differentiation, and more Autor Tehrani, Alireza, Yang, Xiaotian Derrick, Martínez-González, Marco, Pujal, Leila, Hernández-Esparza, Raymundo, Chan, Matthew, Vöhringer-Martinez, Esteban, Verstraelen, Toon, Ayers, Paul W, Heidar-Zadeh, Farnaz

“…Grid is a free and open-source Python library for constructing numerical grids to integrate, interpolate, and differentiate functions (e.g…”
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TorchIO: A Python library for efficient loading, preprocessing, augmentation and patch-based sampling of medical images in deep learning Autor Pérez-García, Fernando, Sparks, Rachel, Ourselin, Sébastien

“…•Open-source Python library for preprocessing, augmentation and sampling of medical images for deep learning…”
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PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators Autor Broberg, Danny, Medasani, Bharat, Zimmermann, Nils E.R., Yu, Guodong, Canning, Andrew, Haranczyk, Maciej, Asta, Mark, Hautier, Geoffroy

“…), have found widespread use in the calculation of point-defect properties. Here we have developed the Python Charged Defect Toolkit (PyCDT…”
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PmagPy: Software package for paleomagnetic data analysis and a bridge to the Magnetics Information Consortium (MagIC) Database Autor Tauxe, L., Shaar, R., Jonestrask, L., Swanson‐Hysell, N. L., Minnett, R., Koppers, A. A. P., Constable, C. G., Jarboe, N., Gaastra, K., Fairchild, L.

“… The PmagPy software package is a cross‐platform and open‐source set of tools written in Python for the analysis of paleomagnetic data that serves as one interface to MagIC, accommodating various levels of user expertise…”
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ana_cont: Python package for analytic continuation Autor Kaufmann, Josef, Held, Karsten

“… The code is publicly available on GitHub, where also documentation and learning resources are provided. Program Title…”
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Analysis of counting data: Development of the SATLAS Python package Autor Gins, W., de Groote, R.P., Bissell, M.L., Granados Buitrago, C., Ferrer, R., Lynch, K.M., Neyens, G., Sels, S.

“… to the assumptions inherent in the algorithm(s). In response to this, a user-friendly Python package (SATLAS…”
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Pyteomics—a Python Framework for Exploratory Data Analysis and Rapid Software Prototyping in Proteomics Autor Goloborodko, Anton A., Levitsky, Lev I., Ivanov, Mark V., Gorshkov, Mikhail V.

“…Pyteomics is a cross-platform, open-source Python library providing a rich set of tools for MS-based proteomics…”
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PyL3dMD: Python LAMMPS 3D molecular descriptors package Autor Panwar, Pawan, Yang, Quanpeng, Martini, Ashlie

“…–property-relationship models using machine learning. Here, we describe a suite of open-source Python-based post-processing routines, called PyL3dMD, for calculating 3D descriptors…”
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Pyleoclim: Paleoclimate Timeseries Analysis and Visualization With Python Autor Khider, Deborah, Emile‐Geay, Julien, Zhu, Feng, James, Alexander, Landers, Jordan, Ratnakar, Varun, Gil, Yolanda

“…We present a Python package geared toward the intuitive analysis and visualization of paleoclimate timeseries, Pyleoclim. The code is open‐source, object…”
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ssbio: a Python framework for structural systems biology Autor Mih, Nathan, Brunk, Elizabeth, Chen, Ke, Catoiu, Edward, Sastry, Anand, Kavvas, Erol, Monk, Jonathan M, Zhang, Zhen, Palsson, Bernhard O

“…), wrappers to popular third-party programs to compute associated protein properties, and methods to visualize and annotate structures directly in Jupyter notebooks, thus lowering the barrier…”
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