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1. PQ PQ Public

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2. PQAnalysis PQAnalysis Public

   PQAnalysis is a API/CLI python package for the analysis of MD simulations

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3. PQEnalyzer PQEnalyzer Public

   Analyzation of Molecular Dynamic Trajectories - PQ

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4. ThermoScreening ThermoScreening Public

   Thermochemistry and molecular screening workflows for DFTB+, xTB, and quantum-chemistry outputs.

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5. VibrationalAnalysis.jl VibrationalAnalysis.jl Public

   Vibrational analysis on PQ output.

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6. Numerov.jl Numerov.jl Public

   Grid-based Schrödinger equation solver: 1D/2D/3D potentials, high-order finite-difference stencils, periodic systems and band structures

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