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The most basic experimental design involves two groups: the experimental group and the control group. The two groups are designed to be the same except for one difference— experimental manipulation. The experimental group gets the experimental manipulation—that is, the treatment or variable being tested—and the control group does not. Since experimental manipulation is the only difference between the experimental and control groups, we can be sure that any differences between...
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Related Experiment Video

Updated: Feb 12, 2026

Engineering Platform and Experimental Protocol for Design and Evaluation of a Neurally-controlled Powered Transfemoral Prosthesis
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MolVE: An Open-Source Web Platform for Visualizing and Evaluating AI-Designed Molecules to Aid in Prioritization.

Davide Rigoni1, Alessandro Sperduti1,2,3,4, Stefano Moro5

  • 1Department of Mathematics "Tullio Levi-Civita", University of Padova, Via Trieste 63, Padova 35131, Italy.

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|February 10, 2026
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Summary
This summary is machine-generated.

MolVE is an open-source platform for collaborative molecule evaluation, streamlining expert judgment in drug discovery and materials science. It enables efficient, distributed assessment of novel molecular structures.

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Area of Science:

  • Computational chemistry
  • Drug discovery
  • Materials science

Background:

  • Artificial intelligence and deep generative models accelerate the creation of novel molecular structures.
  • Evaluating these AI-generated molecules relies on expert judgment, which is often fragmented and difficult to scale.
  • Existing methods lack efficient, collaborative tools for expert molecule assessment.

Purpose of the Study:

  • To introduce MolVE, an open-source, web-based platform for asynchronous, distributed, and collaborative expert evaluation of molecules.
  • To provide a scalable solution for curating, annotating, and evaluating novel molecular candidates.
  • To facilitate seamless integration with machine learning workflows and existing programming languages.

Main Methods:

  • Development of a web-based platform using React, Node.js, Express, and PostgreSQL.
  • Implementation of secure user authentication and dataset management features.
  • Integration of interactive 2D/3D molecular visualizations and APIs for programmatic access.
  • Containerization using Docker for scalable deployment.

Main Results:

  • MolVE enables efficient, collaborative, and distributed evaluation of molecules by experts.
  • The platform supports secure user management, data handling, and interactive visualization.
  • APIs and a Python service facilitate integration with machine learning models and workflows.
  • The Dockerized application is ready for deployment in academic and industrial settings.

Conclusions:

  • MolVE addresses the challenge of scaling expert judgment in AI-driven molecule discovery.
  • The platform enhances efficiency and collaboration among chemists and pharmacologists.
  • MolVE offers a comprehensive, deployable solution for modern molecular research and development.