argonne-lcf / balsam
High throughput workflows and automation for HPC
☆77Updated 8 months ago
Related projects ⓘ
Alternatives and complementary repositories for balsam
- Library for steering campaigns of simulations on supercomputers☆47Updated 2 months ago
- Workflow management for signac-managed data spaces.☆48Updated last week
- Core components of the pyiron integrated development environment (IDE) for computational materials science☆20Updated this week
- Repo for a DOE HPC workflow training event☆12Updated last year
- up-scale python functions for high performance computing☆13Updated this week
- ☆27Updated 2 weeks ago
- Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.☆22Updated this week
- Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run l…☆17Updated 4 years ago
- Contains build scripts and instructions for software on a variety of UK HPC resources☆78Updated 2 weeks ago
- ☆33Updated 2 weeks ago
- funsies is a lightweight workflow engine 🔧☆41Updated 3 years ago
- Molecular dynamics proxy application based on Cabana☆20Updated last month
- Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.☆81Updated last week
- RADICAL-Pilot☆54Updated this week
- Python wrappers for the FirecREST API☆10Updated this week
- Rapidly visualize signac projects through a customizable dashboard interface.☆16Updated last week
- ExaWorks SDK☆11Updated 9 months ago
- MultiResolution Chemistry☆29Updated this week
- Deploy Dask using MPI4Py☆52Updated last month
- API to structured data☆59Updated this week
- Fast computation of a gaussian and its derivative on a grid.☆29Updated 6 months ago
- Python Interface to the Data and Learning Hub for Science☆27Updated last year
- Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.☆62Updated 2 months ago
- The RADICAL Ensemble Toolkit☆28Updated 2 months ago
- Autonomous Data Acquisition, Uncertainty Quantification and HPC Optimization☆22Updated 2 weeks ago
- PyGBe: Python, GPUs and Boundary elements for electrostatics☆64Updated last year
- A python package for surrogate models that interface with calibration and other tools☆12Updated 3 weeks ago
- Faster X-ray Bragg Peak Analysis with Deep Learning☆14Updated 2 years ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆27Updated last month
- This is a mirror. Please check our main website on gitlab.☆24Updated 2 weeks ago