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LeDock is a molecular docking software, designed for protein-ligand interactions, that is compatible with Linux, macOS, and Windows. [2] [3] [4] The software can run as a standalone programme or from Jupyter Notebook. [5] It supports the Tripos Mol2 file format.
[4] [5] [6] It is available both in browsers via Jupyter notebooks, [6] [7] and locally on Linux and macOS. [ 8 ] [ 9 ] Mojo aims to combine the usability of a high-level programming language , specifically Python , with the performance of a system programming language such as C++ , Rust , and Zig . [ 10 ]
IPython continued to exist as a Python shell and kernel for Jupyter, but the notebook interface and other language-agnostic parts of IPython were moved under the Jupyter name. [ 11 ] [ 12 ] Jupyter is language agnostic and its name is a reference to core programming languages supported by Jupyter, which are Julia , Python , and R .
A notebook interface or computational notebook is a virtual notebook environment used for literate programming, a method of writing computer programs. [1] Some notebooks are WYSIWYG environments including executable calculations embedded in formatted documents; others separate calculations and text into separate sections.
The main parts of the Jupyter Notebooks are: Metadata, Notebook format and list of cells. Metadata is a data Dictionary of definitions to set up and display the notebook. Notebook Format is a version number of the software. List of cells are different types of Cells for Markdown (display), Code (to execute), and output of the code type cells. [23]
Anaconda is an open source [9] [10] data science and artificial intelligence distribution platform for Python and R programming languages.Developed by Anaconda, Inc., [11] an American company [1] founded in 2012, [11] the platform is used to develop and manage data science and AI projects. [9]
Annotated Python-like code is compiled to C and then automatically wrapped in interface code, producing extension modules that can be loaded and used by regular Python code using the import statement, but with significantly less computational overhead at run time. Cython also facilitates wrapping independent C or C++ code into python-importable ...
A Unix shell is a command-line interpreter or shell that provides a command line user interface for Unix-like operating systems. The shell is both an interactive command language and a scripting language, and is used by the operating system to control the execution of the system using shell scripts. [2]