nathan-hess / docker-slurm
Docker images with Slurm Workload Manager installed
☆14Updated last year
Alternatives and similar repositories for docker-slurm:
Users that are interested in docker-slurm are comparing it to the libraries listed below
- A Python class for scheduling SLURM jobs☆58Updated 6 months ago
- ☆28Updated this week
- Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.☆27Updated last week
- An example GitHub Action (CI) to build a Singularity container☆69Updated last year
- 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 last month
- The official PySCeS project source code repository.☆38Updated this week
- High throughput workflows and automation for HPC☆82Updated 2 months ago
- Workflow management for signac-managed data spaces.☆47Updated last week
- JupyterLab extension for py3Dmol☆20Updated 3 years ago
- StreamFlow Workflow Manager☆56Updated this week
- Web client code for the MongoChem project☆10Updated 4 years ago
- This is JSmol viewer widget for Jupyter Notebooks and JupyterLab☆33Updated 2 years ago
- Library for steering campaigns of simulations on supercomputers☆53Updated this week
- Rapidly visualize signac projects through a customizable dashboard interface.☆15Updated last week
- An opinionated open source deployment of jupyterhub based on an Slurm job scheduler.☆28Updated 7 months ago
- A Slurm cluster using docker-compose☆368Updated 7 months ago
- generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish☆51Updated last week
- RADICAL-Pilot☆60Updated last week
- Automated omics-scale protein modeling and simulation setup.☆52Updated 3 years ago
- A Python Module for intelligent reuse of docstrings☆31Updated 4 years ago
- Slurm-Mail is a drop in replacement for Slurm's e-mails to give users much more information about their jobs compared to the standard Slu…☆105Updated 2 weeks ago
- Jupyter plugin that provides a tab for TACC Lmod (https://github.com/TACC/Lmod)☆30Updated 4 months ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆79Updated 8 months ago
- Make valid molecular graphs!☆22Updated last year
- Simple installer for conda (and conda-likes)☆16Updated last week
- Derive ΔG for single residues from HDX-MS data☆28Updated 3 weeks ago
- Natural language computational chemistry command line interface.☆45Updated 2 years ago
- Molecular frequency-dependent response properties for arbitrary operators☆11Updated this week
- Create macromolecular images☆32Updated last month
- Python wrappers for the FirecREST API☆12Updated last month