CITATION.cff

cff-version: 1.2.0
message: "If you use this software, please cite it as below."
authors:
  - family-names: "López-Cervantes"
    given-names: "Juan Emanuel"
    orcid: "https://orcid.org/0009-0001-5428-6337"
    affiliation: "Universidad Autónoma del Estado de Hidalgo"
title: "Interaction Map Explorer (IME): Automated Topological Analysis of Molecular Interfaces"
version: 1.0.0
doi: 10.5281/zenodo.19100311
date-released: 2026-03-18
url: "https://github.com/1JELC1/Interaction-Map-Explorer"
repository-code: "https://github.com/1JELC1/Interaction-Map-Explorer"
keywords:
  - computational-chemistry
  - QTAIM
  - critical-points
  - molecular-interactions
  - non-covalent-interactions
  - topological-analysis
  - DFT
  - python
  - multiwfn
  - VMD
  - protein-ligand
  - bond-critical-points
abstract: "A Python tool that automates the identification and characterization of Critical Points (CPs) at the interface between molecular fragments, enabling the study of intermolecular interactions in molecule-molecule and protein-ligand systems using QTAIM topological analysis."
license: Apache-2.0