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Tags: Science and math
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Qiskit is an open-source SDK for working with quantum computers at the level of extended quantum circuits, operators, and primitives.

Genetic Algorithm, Particle Swarm Optimization, Simulated Annealing, Ant Colony Optimization Algorithm,Immune Algorithm, Artificial Fish Swarm Algorithm, Differential Evolution and TSP(Traveling salesman)

  • genetic-algorithm
  • pso
  • particle-swarm-optimization
  • tsp

The official sources for the RDKit library

  • cheminformatics
  • c-plus-plus
  • python
  • rdkit

A research toolkit for particle swarm optimization in Python

  • particle-swarm-optimization
  • optimization-tools
  • pso
  • global-optimization

Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.

The Point Processing Toolkit (pptk) is a Python package for visualizing and processing 2-d/3-d point clouds.

ACADO Toolkit is a software environment and algorithm collection for automatic control and dynamic optimization. It provides a general framework for using a great variety of algorithms for direct optimal control, including model predictive control, state and parameter estimation and robust optimization.

A Practical and Efficient NCBI Taxonomy Toolkit, also supports creating NCBI-style taxdump files for custom taxonomies like GTDB/ICTV

Universal cheminformatics toolkit, utilities and database search tools

Kaapana is an open source toolkit for state of the art platform provisioning in the field of medical data analysis. The applications comprise AI-based workflows and federated learning scenarios with a focus on radiological and radiotherapeutic imaging. The name Kaapana comes from the Hawaiian word kaʻāpana, meaning "distributor" or "part".