libopenchemlib-java
framework providing cheminformatics core functionality
OpenChemLib is Java based framework providing cheminformatics core
functionality and user interface components. Its main focus is on organics
chemistry and small molecules. It is built around a StereoMolecule class,
which represents a molecule using atom and bond tables, provides atom
neighbours, ring and aromaticity information, and supports MDL's concept of
enhanced stereo representation. Additional classes provide, 2D-depiction,
descriptor calculation, molecular similarity and substructure search,
reaction search, property prediction, conformer generation, support for
molfile and SMILES formats, energy minimization, ligand-protein
interactions, and more. OpenChemLib's idcode represents molecules,
fragments or reactions as canonical, very compact string that includes
stereo and query features.
python3-tablib
format agnostic tabular dataset library (Python 3)
Tablib is a format agnostic tabular dataset library, written in Python. It
allows you to import, export, and manipulate tabular data sets. Advanced
features include, segregation, dynamic columns, tags & filtering, and seamless
format import & export.
libmkl-blacs-openmpi-lp64
Intel® MKL : LP64 version of BLACS routines for Open MPI
Intel® Math Kernel Library (Intel® MKL) is a computing math library of highly
optimized, extensively threaded routines for applications that require
maximum performance.
osmosis
Command line OpenStreetMap data processor
Osmosis consists of a series of components that can be chained together
in order to perform operations on an OpenStreetMap database or
OpenStreetMap XML or PBF files. Such operations include:
* Generate and load dumps from and to a database.
* Produce changesets comparing databases and files and applying
them to other databases and files.
* Sort data contained in a file.
* Extract data contained in a bounding box or in a polygon.
wayout
Wayland desktop widgets from standard input text
Wayout takes text from standard input and outputs it to a desktop-widget
on Wayland desktops. Periodic updates are supported; e.g. newline
separated input or any other delimiter of choice. This is called a *feed*.
The desktop widget can be shown either on top (OSD-like functionality)
or below other windows.
libunuran16
Universal Non-Uniform RAndom Number generator
This is a collection of algorithms for generating non-uniform pseudorandom
variates as a library of C functions designed and implemented by the ARVAG
(Automatic Random VAriate Generation) project group in Vienna.