Google Test features an XUnit test framework, automated test discovery, death tests, assertions, parameterized tests and XML test report generation.

CppUTest is a C/C++ based unit xUnit test framework. It is written in C++ but is used in C and C++ projects and frequently used in embedded systems but it works for any C/C++ project.

pytest-mypi is a static type checker plugin for Pytest that runs the mypy static type checker on your source files as part of a Pytest test execution.

Testrepository provides a database of test results which can be used as part of a developer's workflow to check things such as what tests have failed since the last commit or what tests are currently failing.

checkmake is an experimental tool for linting and checking Makefiles. It allows for a set of configurable rules being run against a Makefile or a set of *.mk files.

pytest-perf makes it easy to compare works by creating two installs, the control and the experiment, and measuring the performance of some Python code against each. Under the hood, it uses the pip-run command to install from the upstream main branch (e.g. https://github.com/jaraco/pytest-perf) for the control and from . for the experiment. It then runs each of the experiments against each of the environments.

Nose extends the unittest library to make testing easier.

Parameterized is a Python library that aims to fix parameterized testing for every Python test framework. It supports nose, py.test, and unittest.

This package provides a pytest plugin for generating NUnit3 test result XML output

CoverageTestRunner is a python module for running unit tests and failing them if the unit test module does not exercise all statements in the module it tests.

Cukinia is designed to help GNU/Linux-based embedded firmware developers run simple system-level validation tests on their firmware. Cukinia integrates well with embedded firmware generation frameworks such as Buildroot and Yocto, and can be run manually or by your favourite continuous integration framework. Among Cukinia features are:

• simple to use

• no dependencies other than BusyBox or GNU Coreutils

• easy integration with CI/CD pipelines.

TRAJNG (Trajectory next generation) is a program library for handling molecular dynamics (MD) trajectories. It can store coordinates, and optionally velocities and the H-matrix. Coordinates and velocities are stored with user-specified precision.

maeparser is a parser for Schrodinger Maestro files.

geomeTRIC is a Python library and program for geometry optimization of molecular structures, which works with different external quantum chemistry (and molecular mechanics) softwares.

The InChI (IUPAC International Chemical Identifier) algorithm turns chemical structures into machine-readable strings of information. InChIs are unique to the compound they describe and can encode absolute stereochemistry making chemicals and chemistry machine-readable and discoverable. A simple analogy is that InChI is the bar-code for chemistry and chemical structures.

libmsym is a C library dealing with point group symmetry in molecules.

XCFun is a library of exchange-correlation functionals with arbitrary-order derivatives for density functional theory.

Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

MoleQueue is a system-tray resident desktop application for abstracting, managing, and coordinating the execution of tasks both locally and on remote computational resources. Users can set up local and remote queues that describe where the task will be executed. Each queue can have programs, with templates to facilitate the execution of the program. Input files can be staged, and output files collected using a standard interface.

RDKit is a C++ and Python library for cheminformatics, which includes (among other things) the analysis and modification of molecules in 2D and 3D and descriptor generation for machine learning.

libcint is a C library (also with a Fortran API) to evaluate one- and two-electron integrals for GTOs.

RingDecomposerLib is a library for the calculation of unique ring families, relevant cycles, the smallest set of smallest rings and other ring topology descriptions.

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's a collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.

This package is a library for the MMTF, a binary encoding of biological structures.