mpi
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Announcements
| Title | Date |
|---|---|
| CI Pathways: Leading the Way to Effective CI Use | 02/20/25 |
Upcoming Events & Trainings
| Title | Date |
|---|---|
| CI Pathways: Intro to Parallel Computing | 4/21/25 |
| CI Pathways: Distributed Memory Parallelism | 4/24/25 |
| 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
Feseha Abebe-Akele
Elizabeth City State University
Programs
CCMNet
Roles
mentor, researcher/educator, research computing facilitator, CCMNet
Expertise
Wirawan Purwanto
Old Dominion University
Programs
Campus Champions, Northeast, ACCESS CSSN
Roles
mentor, research computing facilitator, cssn
Expertise
Cody Stevens
Wake Forest University
Programs
Campus Champions, CCMNet
Roles
regional facilitator, researcher/educator, research computing facilitator, ci systems engineer, CCMNet
Expertise
People with Interest
Interests
Interests
Tajendra Vir Singh
University of California, Los Angeles
Programs
Campus Champions
Roles
research computing facilitator