glotzerlab / softwareLinks
Conda recipes for Glotzer Lab software on HPC resources
☆12Updated this week
Alternatives and similar repositories for software
Users that are interested in software are comparing it to the libraries listed below
Sorting:
- A library to generate numerical descriptions of particle systems.☆12Updated 4 years ago
- Manage large and heterogeneous data spaces on the file system.☆136Updated this week
- Read and write GSD files for use with HOOMD-blue.☆27Updated this week
- Workflow management for signac-managed data spaces.☆48Updated 4 months ago
- A lightweight package with the periodic table of the elements☆12Updated 4 years ago
- A python wrapper around ScaLAPACK☆33Updated 3 years ago
- Rapidly visualize signac projects through a customizable dashboard interface.☆16Updated this week
- Examples for the signac framework.☆15Updated this week
- Library for steering campaigns of simulations on supercomputers☆59Updated 6 months ago
- ☆30Updated last week
- Powerful, efficient particle trajectory analysis in scientific Python.☆308Updated last week
- Up-scale python functions for high-performance computing (HPC)☆57Updated last week
- An AiiDA plugin for dynamically defining workflows using Python functions☆18Updated 3 years ago
- Contains build scripts and instructions for software on a variety of UK HPC resources☆88Updated 2 months ago
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆33Updated last year
- ☆14Updated 3 years ago
- Python framework for coupled HPC simulations☆15Updated 3 weeks ago
- High throughput workflows and automation for HPC☆83Updated 5 months ago
- F90 to Python interface generator with derived type support☆267Updated last month
- MolSSI Integral Reference Project☆26Updated 4 years ago
- Fast Azimuthal Integration in Python☆121Updated last week
- ☆19Updated 3 years ago
- Numerical integration grid for molecules.☆50Updated 3 months ago
- The Open Knowledgebase of Interatomic Models (OpenKIM) aims to be an online resource for standardized testing, long-term warehousing and …☆35Updated 2 months ago
- merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project☆24Updated 6 years ago
- C++ library for the implementation of tensor product calculations through a clean, concise user interface.☆26Updated 2 years ago
- Fast computation of a gaussian and its derivative on a grid.☆31Updated 2 months ago
- Selected Decomposition Routines☆18Updated 3 months ago
- Numerically tolerant end-to-end test library for research software.☆24Updated 6 months ago
- Crystal structure container and parsers for structure formats.☆35Updated last week