PyPI98Exceptionalhealth index
C++ · Cuda★ 2,509↓ 5,880/moSep 8, 2026
PyPI98Exceptionalhealth index

spack/spackA flexible package manager that supports multiple versions, configurations, platforms, and compilers.
Python★ 5,143Oct 20, 2026
Go98Exceptionalhealth index
Go★ 5,882Aug 23, 2026
Go96Exceptionalhealth index
Go★ 1,965Sep 16, 2026
PyPI95Exceptionalhealth index

GridTools/gt4pyPython library for generating high-performance implementations of stencil kernels for weather and climate modeling from a domain-specific language (DSL).
Python★ 147↓ 13.6K/moSep 12, 2026
PyPI95Exceptionalhealth index
C★ 2,662Oct 8, 2026
PyPI94Exceptionalhealth index

QMCPACK/qmcpackMain repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support
C++ · Python★ 403Sep 12, 2026
PyPI94Exceptionalhealth index

cylc/cylc-flowCylc: a general purpose workflow engine with a gift for cycling
Python · Shell★ 382↓ 3,136/moOct 12, 2026
PyPI · Go94Exceptionalhealth index

finos/open-resource-brokerA unified API for orchestrating and provisioning compute capacity programmatically. Define what you need in a template, request it, track it, return it — through a CLI, REST API, Python SDK, or MCP server.
Python★ 18↓ 13.5K/moSep 14, 2026
PyPI94Exceptionalhealth index

lablup/backend.aiBackend.AI is a streamlined, container-based computing cluster platform that hosts popular computing/ML frameworks and diverse programming languages, with pluggable heterogeneous accelerator support including CUDA GPU, ROCm GPU, Gaudi NPU, Google TPU, GraphCore IPU and other NPUs.
Python★ 670Sep 18, 2026
PyPI93Exceptionalhealth index

devitocodes/devitoDSL and compiler framework for automated finite-differences and stencil computation
Python★ 714↓ 7,001/moSep 9, 2026
PyPI93Exceptionalhealth index
C · Python · Shell★ 208Sep 20, 2026
crates.io93Exceptionalhealth index
C★ 825↓ 36/moSep 20, 2026
PyPI93Exceptionalhealth index

reframe-hpc/reframeA powerful Python framework for writing and running portable regression tests and benchmarks for HPC systems.
Python★ 284↓ 9,642/moSep 19, 2026
Go93Exceptionalhealth index

sylabs/singularitySingularityCE is the Community Edition of Singularity, an open source container platform designed to be simple, fast, and secure.
Go★ 993Sep 13, 2026
PyPI91Excellenthealth index

Quantum-Accelerators/quaccquacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
Python★ 291↓ 6,940/moSep 18, 2026
PyPI · crates.io91Excellenthealth index

qiskit-community/qrmiThin and vendor agnostic layer to access, control and monitor underlying on-prem or cloud quantum computers
Rust · Python★ 65↓ 2,353/moOct 16, 2026
PyPI90Excellenthealth index
C++★ 82Sep 15, 2026
PyPI90Excellenthealth index
C++ · Shell★ 120Sep 10, 2026
PyPI90Excellenthealth index

llnl/bltA streamlined CMake build system foundation for developing HPC software
C++★ 296Sep 11, 2026
PyPI · crates.io89Excellenthealth index
Rust · Python★ 25↓ 278/moOct 19, 2026

openucx/ucxUnified Communication X (mailing list - https://elist.ornl.gov/mailman/listinfo/ucx-group)
C · C++★ 1,723Oct 12, 2026
PyPI89Excellenthealth index

pyiron/pysqaSimple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
Python★ 35↓ 7,342/moSep 22, 2026
PyPI87Excellenthealth index

arbor-sim/arborThe Arbor multi-compartment neural network simulation library.
C++ · AGS Script★ 136↓ 3,189/moSep 13, 2026
PyPI · npm87Excellenthealth index

calkit/calkitAll stages of research in one place: agile, verifiable, reproducible.
Python · TypeScript★ 60↓ 3,616/moOct 15, 2026
Go · npm86Excellenthealth index

ceems-dev/ceemsA Prometheus exporter and a REST API server to export metrics of compute units of resource managers like SLURM, LSF, Openstack, k8s
C · Go★ 77Oct 18, 2026
PyPI86Excellenthealth index
Python★ 169Sep 12, 2026
PyPI86Excellenthealth index

llnl/UmpireAn application-focused API for memory management on NUMA & GPU architectures
C++★ 422Sep 11, 2026
Maven86Excellenthealth index
Java★ 470Sep 5, 2026
PyPI86Excellenthealth index

pipefunc/pipefuncLightweight fast function pipeline (DAG) creation in pure Python for scientific (HPC) workflows 🕸️🧪
Python★ 481↓ 15.3K/moSep 17, 2026