mpi
Affinity Groups
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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 |
|---|---|
| TACC Summer Institute for Applied Parallel Programming | 6/02/25 |
| 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
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
Gil Speyer
Arizona State University
Programs
ACCESS CSSN, RMACC, Campus Champions
Roles
mentor, researcher/educator, research computing facilitator, Affinity Group Leader, CIP
Interests
Daniel Howard
University Corporation for Atmospheric Research
Programs
ACCESS CSSN, Campus Champions, CCMNet, RMACC
Roles
mentor, research computing facilitator, research software engineer, CCMNet
Interests
