mpi
Affinity Groups
There are no Affinity Groups associated with this topic. View All Affinity Groups.
Announcements
| Title | Date |
|---|---|
| TACC Summer Institute for Applied Parallel Programming | 05/16/25 |
| CI Pathways: Leading the Way to Effective CI Use | 02/20/25 |
Upcoming Events & Trainings
| Title | Date |
|---|---|
| HPC & Data Science Summer Institute 2025 | 8/04/25 |
| HPC & Data Science Summer Institute 2025 | 8/04/25 |
| HPC & Data Science Summer Institute 2025 | 8/04/25 |
Topics from Ask.CI
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Knowledge Base Resources
| Title | Category | Tags | Skill Level |
|---|---|---|---|
| ACCESS HPC Workshop Series | Learning | deep-learning, machine-learning, neural-networks, big-data, tensorflow, gpu, training, openmpi, c, c++, fortran, openmp, programming, mpi, spark | Beginner, Intermediate |
| AHPCC documentary | Docs | login, batch-jobs, slurm, bash, ssh, python, mpi | Beginner, Intermediate |
| Benchmarking with a cross-platform open-source flow solver, PyFR | Tool | finite-element-analysis, benchmarking, parallelization, github, fluid-dynamics, openmpi, c++, cuda, mpi | Intermediate |
Engagements
Re-engineering Lilly’s KisunlaTM into a novel antibody targeting IL13RA2 against GBM using AI-driven macromolecular modeling
Atrium Health Levine Cancer
- Summary and objectives of the proposed experiments:
- An initial research-based Ab (scFv47, discovered by our collaborator Dr. Balyasnikova) model, modeling Ab-Ag (IL13RA2 against GBM) protein complex, and identifying the binding sites (epitopes) using ROSETTA and AlphaFold2 multimer tools.
- Graft the CDRs of scFv (single-chain variable fragment) of antibody or Bispecific T cell engagers (BTEs) onto the template Ab, the framework of Lilly's Kisunla™ Ab drug.
- Modify, improve, and optimize the overall or full antibody protein structures using AI-driven macromolecule modeling (AlphaFold3).
- Explore single nucleotide polymorphism (SNP), pathogenic genetic variants and N-glycosylation of IL13RA2 (target) protein domain interacting with the Ab candidates among the patient population using ROSETTA software packages.
Status: In Progress
People with Expertise
Expertise
Cody Stevens
Wake Forest University
Programs
Campus Champions, CCMNet
Roles
regional facilitator, researcher/educator, research computing facilitator, ci systems engineer, CCMNet
Expertise
Gaurav Khanna
University of Rhode Island
Programs
Campus Champions, CAREERS, Northeast, CCMNet
Roles
mentor, regional facilitator, researcher/educator, research computing facilitator, Affinity Group Leader, steering committee, CCMNet
Expertise
People with Interest
Interests
Eden Furtak-Cole
Desert Research Institute
Programs
Campus Champions
Roles
research computing facilitator
Interests
Xiaoqin Huang
Rice University
Programs
ACCESS CSSN
Roles
mentor, research computing facilitator, research software engineer, cssn
