Suchergebnisse - python property documentation

Pyteomics—a Python Framework for Exploratory Data Analysis and Rapid Software Prototyping in Proteomics von 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 …”
Volltext

PyL3dMD: Python LAMMPS 3D molecular descriptors package von 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 …”
Volltext

Pickaxe: a Python library for the prediction of novel metabolic reactions von 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 …”
Volltext

Properties and Styles of Software Technology Tutorials von Arya, Deeksha M., Guo, Jin L. C., Robillard, Martin P.

“… We studied the design of tutorials in the software documentation landscape for five popular programming languages: Java, C# …”
Volltext

pyPept: a python library to generate atomistic 2D and 3D representations of peptides von Ochoa, Rodrigo, Brown, J. B., Fox, Thomas

“… We present pyPept, a set of executables and underlying python-language classes to easily create, manipulate, and analyze peptide molecules using the FASTA, HELM, or recently-developed BILN notations …”
Volltext

PyDPI: freely available python package for chemoinformatics, bioinformatics, and chemogenomics studies von Cao, Dong-Sheng, Liang, Yi-Zeng, Yan, Jun, Tan, Gui-Shan, Xu, Qing-Song, Liu, Shao

“… Herein, we developed a comprehensive python package to emphasize the integration of chemoinformatics and bioinformatics into a molecular informatics platform for drug discovery. PyDPI …”
Weitere Angaben

AtomDB: A Python Library and Database for Atomic and Promolecular Properties von Sánchez Díaz, Gabriela, Richer, Michelle, Martínez González, Marco, van Zyl, Maximilian, Pujal, Leila, Tehrani, Alireza, Bianchi, Julianna, Chuiko, Valerii, Erhard, Jannis, Meng, Fanwang, Ayers, Paul W, Heidar-Zadeh, Farnaz

“… AtomDB is a free and open-source Python library for accessing and manipulating neutral and charged atomic species and their promolecular properties …”
Weitere Angaben

A fast and efficient python library for interfacing with the Biological Magnetic Resonance Data Bank von 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 …”
Volltext

Logomaker: beautiful sequence logos in Python von Tareen, Ammar, Kinney, Justin B

“… Abstract Summary Sequence logos are visually compelling ways of illustrating the biological properties of DNA, RNA and protein sequences, yet it is currently difficult to generate and customize …”
Volltext

Grid: A Python library for molecular integration, interpolation, differentiation, and more von 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 …”
Weitere Angaben

Stingray: A Modern Python Library for Spectral Timing von 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 …”
Volltext

scikit‐maad: An open‐source and modular toolbox for quantitative soundscape analysis in Python von Ulloa, Juan Sebastián, Haupert, Sylvain, Latorre, Juan Felipe, Aubin, Thierry, Sueur, Jérôme

“… that slows down its application in research and conservation. We present scikit‐maad, an open‐source Python package dedicated to the analysis of environmental audio recordings …”
Volltext

Metis: a python-based user interface to collect expert feedback for generative chemistry models von 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 …”
Volltext

GBasis: A Python library for evaluating functions, functionals, and integrals expressed with Gaussian basis functions von Kim, Taewon David, Pujal, Leila, Richer, Michelle, van Zyl, Maximilian, Martínez-González, Marco, Tehrani, Alireza, Chuiko, Valerii, Sánchez-Díaz, Gabriela, Sanchez, Wesley, Adams, William, Huang, Xiaomin, Kelly, Braden D, Vöhringer-Martinez, Esteban, Verstraelen, Toon, Heidar-Zadeh, Farnaz, Ayers, Paul W

“… GBasis is a free and open-source Python library for molecular property computations based on Gaussian basis functions in quantum chemistry …”
Weitere Angaben

Mordred: a molecular descriptor calculator von Moriwaki, Hirotomo, Tian, Yu-Shi, Kawashita, Norihito, Takagi, Tatsuya

“… It is freely available via GitHub. Mordred can be easily installed and used in the command line interface, as a web application, or as a high-flexibility Python package on all major platforms …”
Volltext

Digitalization of Legacy Datasets and Machine Learning Regression Yields Insights for Reservoir Property Prediction and Submarine-Fan Evolution: A Subsurface Example From the Lewis Shale, Wyoming von Martin, Thomas, Tadla, Jared, Jobe, Zane

“… Machine-learning algorithms have long aided in geologic property prediction from well-log data, but are primarily used to classify lithology, facies, formation, and rock types …”
Volltext

HydroPy (v1.0): a new global hydrology model written in Python von Stacke, Tobias, Hagemann, Stefan

“… ). Being rewritten in Python, the new model requires much less effort in maintenance, and due to its flexible infrastructure, new processes can be easily implemented …”
Volltext

PypKa: A Flexible Python Module for Poisson-Boltzmann-Based pKa Calculations von Reis, Pedro B P S, Vila-Viçosa, Diogo, Rocchia, Walter, Machuqueiro, Miguel

“… The protonation of titratable residues has a significant impact on the structure and function of biomolecules, influencing many physicochemical and ADME properties …”
Weitere Angaben

PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators von 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 …”
Volltext

TorchIO: A Python library for efficient loading, preprocessing, augmentation and patch-based sampling of medical images in deep learning von Pérez-García, Fernando, Sparks, Rachel, Ourselin, Sébastien

“… •Open-source Python library for preprocessing, augmentation and sampling of medical images for deep learning …”
Volltext