glotzerlab / signac-flowLinks
Workflow management for signac-managed data spaces.
☆48Updated 2 months ago
Alternatives and similar repositories for signac-flow
Users that are interested in signac-flow are comparing it to the libraries listed below
Sorting:
- Manage large and heterogeneous data spaces on the file system.☆135Updated this week
- Examples for the signac framework.☆15Updated last week
- Rapidly visualize signac projects through a customizable dashboard interface.☆16Updated this week
- Read and write GSD files for use with HOOMD-blue.☆27Updated this week
- A lightweight package with the periodic table of the elements☆12Updated 4 years ago
- High throughput workflows and automation for HPC☆83Updated 4 months ago
- Up-scale python functions for high-performance computing (HPC)☆53Updated last week
- jobflow is a library for writing computational workflows.☆112Updated last week
- Powerful, efficient particle trajectory analysis in scientific Python.☆304Updated this week
- RADICAL-Pilot☆63Updated last week
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆33Updated last year
- Library for steering campaigns of simulations on supercomputers☆58Updated 4 months ago
- plug-n-play black box optimizer for high-throughput computing☆51Updated 2 years ago
- ☆19Updated 2 years ago
- 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 2 weeks ago
- GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…☆29Updated 4 years ago
- Definitions of the NeXus Standard File Structure and Contents☆27Updated last week
- A Framework for Metropolis Monte Carlo Simulation of Molecular Systems☆72Updated last month
- ☆30Updated last week
- funsies is a lightweight workflow engine 🔧☆41Updated 4 years ago
- GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems☆84Updated this week
- Software Suite for Advanced General Ensemble Simulations☆90Updated 2 years ago
- Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.☆31Updated this week
- Basis sets, estimators and solvers for the variational approach of conformation dynamics. NOTE: the code has been merged with PyEMMA and …☆10Updated 8 years ago
- Fast computation of a gaussian and its derivative on a grid.☆31Updated last month
- Library for chemical kinetics in homogeneous or isotropically symmetric inhomogenous systems.☆14Updated 2 years ago
- Library first implementation of the D3 dispersion correction☆71Updated 2 months ago
- Crystal structure container and parsers for structure formats.☆35Updated 3 months ago
- A VMD molfile plugin reader for HOOMD-blue GSD files.☆20Updated 11 months ago
- Python energy landscape explorer☆98Updated last week