This repository contains the computational implementations, scripts, input files, raw data, and supporting materials associated with the density-based effective tuning approach for range-separated hybrid functionals reported in: Aditi Singh, Subrata Jana, Lucian A. Constantin, Fabio Della Sala, Prasanjit Samal, and Szymon Śmiga, “Simplified, Physically Motivated, and Broadly Applicable Range-Separation Tuning,” Journal of Physical Chemistry Letters 2025, 16, 8198–8208.DOI: https://doi.org/10.1021/acs.jpclett.5c01441 ω_eff implementation The repository provides an implementation for computing the effective range-separation parameter, ωeff, based on the formulation introduced in the above publication. ω_GDD implementation For comparison, the repository also provides an implementation of the Global Density-Dependent (GDD) range-separation tuning scheme, based on: J. Chem. Phys. A 2013, 117, 11580–11586. These two implementations allow direct comparison between the proposed ωeff approach and the established ωGDD tuning procedure. Computational workflows and reproducibility The repository archives the computational workflows and raw data supporting the figures and tables of the associated publication. It includes: input files for quantum-chemistry calculations, including NWChem input files; computational scripts required to determine ωeff and ωGDD; calculation details and supporting files for reproducibility, transparency, and independent validation; optimized molecular geometries used in the study. The computational implementations are integrated with the PySCF framework, allowing the tuning procedures to be applied within the electronic-structure calculations. A separate geometry repository contains the optimized molecular structures used in the study, providing the molecular coordinates required to reconstruct the computational experiments. Data format and structure The archive contains source-code and text-based files, including Python scripts, quantum-chemistry input files, molecular structure files, computational outputs, and documentation. The repository is organized into directories containing the tuning implementations, example workflows, input files, calculation data, and supporting materials. A README file provides instructions for installation, execution, and reproduction of the calculations. License: CC BY - Creative Commons Attribution 4.0 Funding: This work was supported by the National Science Centre (NCN), Poland, under project no. 2021/42/E/ST4/00096. Related publication:https://doi.org/10.1021/acs.jpclett.5c01441 Zenodo DOI:https://doi.org/10.5281/zenodo.22661125