python3-compose

Python implementation of docker-compose file specification

docker-compose is a service management software built on top of docker. Define your services and their relationships in a simple YAML file, and let compose handle the rest.

python3.13-venv

Interactive high-level object-oriented language (pyvenv binary, version 3.13)

Python is a high-level, interactive, object-oriented language. Its 3.13 version includes an extensive class library with lots of goodies for network programming, system administration, sounds and graphics.

numbat

CLI for numbat, a programming language for scientific computations

This package contains the following binaries built from the Rust crate "numbat-cli": - numbat

libchemistry-ring-perl

Represent a ring as a substructure of a molecule

Chemistry::Ring provides some basic methods for representing a ring. A ring is a subclass of molecule, because it has atoms and bonds. Besides that, it has some useful geometric methods for finding the centroid and the ring plane, and methods for aromaticity detection.

libchemistry-file-mdlmol-perl

MDL molfile/SDF (V2000) reader/writer

Chemistry::File::MDLMol automatically registers the 'sdf' format with Chemistry::Mol.

libstatistics-regression-perl

weighted linear regression package (line+plane fitting)

Regression.pm is a multivariate linear regression package. That is, it estimates the c coefficients for a line-fit of the type