Investigating Protein Folding using Knapsack Minimization Algorithms on High Performance Computers and Quantum Computers

Submission information

Submission Number: 108

Submission ID: 200

Submission UUID: 9d5f4163-d512-40b0-9eda-8c7fd954b914

Submission URI: /form/project

Created: Mon, 09/06/2021 - 09:17

Completed: Mon, 09/06/2021 - 09:27

Changed: Wed, 07/06/2022 - 15:09

Remote IP address: 148.74.85.131

Submitted by: Avery Leider

Language: English

Is draft: No

Webform: Project

Project Title Investigating Protein Folding using Knapsack Minimization Algorithms on High Performance Computers and Quantum Computers

Program CAREERS

Project Image

Tags ai (271), benchmarking (400), bioinformatics (277), biology (515), computational-chemistry (81), deep-learning (303), hpc-arch-and-perf (467), jupyterhub (214), machine-learning (272), optimization (509), proposal-development (341), python (69), quantum-mechanics (281), scikit-learn (273), singularity (23)

Status Halted

Project Leader

Project Leader Avery Leider

Email al43110n@pace.edu

Mobile Phone 917-991-5235

Work Phone 917-991-5235

Project Personnel

Mentor(s) Avery Leider

Student-facilitator(s) Gio Abou Jaoude, MLDL Vermont, Siddh Agarwal

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Project Information

Project Description Investigating Protein Folding using Knapsack Minimization Algorithms on High Performance Computers and Quantum Computers. Protein folding and unfolding in nature appears to use the forward thinking greedy algorithm of Knapsack Minimization. Understanding this and then enhancing it with sorting can help us find new medicines swiftly, instead of the incremental approach that is currently the method for the pharmaceutical sciences, such as bioinformatics and biotechnology. We seek to understand how to use our current bioinformatics tools on the AiMOS high performance computer (HPC) and the Q-Experience quantum computers of IBM available to researchers.

Project Information Subsection

Project Deliverables Write code in Python and post it in Google Colab to share and collaborate. Use greedy algorithm template for code. Check on

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Student Research Computing Facilitator Profile Seeking biological informatics and quantum computing curious.

Mentee Research Computing Profile {Empty}

Student Facilitator Programming Skill Level Can work with any level

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Project Institution Pace University

Project Address 861 Bedford Rd
Pleasantville, New York. 10570

Anchor Institution CR-Rensselaer Polytechnic Institute

Preferred Start Date {Empty}

Start as soon as possible. Yes

Project Urgency Already behind3Start date is flexible

Expected Project Duration (in months) 6 months

Launch Presentation {Empty}

Launch Presentation Date 09/08/2021

Wrap Presentation {Empty}

Wrap Presentation Date 02/09/2022

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Final Report

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