glotzerlab / softwareLinks
Conda recipes for Glotzer Lab software on HPC resources
☆11Updated last month
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
 - Read and write GSD files for use with HOOMD-blue.☆27Updated this week
 - Workflow management for signac-managed data spaces.☆48Updated 3 months ago
 - Manage large and heterogeneous data spaces on the file system.☆135Updated last week
 - A lightweight package with the periodic table of the elements☆12Updated 4 years ago
 - Rapidly visualize signac projects through a customizable dashboard interface.☆16Updated last week
 - High throughput workflows and automation for HPC☆83Updated 4 months ago
 - A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆33Updated last year
 - Powerful, efficient particle trajectory analysis in scientific Python.☆304Updated last week
 - Library for steering campaigns of simulations on supercomputers☆58Updated 5 months ago
 - A python wrapper around ScaLAPACK☆33Updated 3 years ago
 - Selected Decomposition Routines☆18Updated 2 months ago
 - Contains build scripts and instructions for software on a variety of UK HPC resources☆88Updated last month
 - Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.☆69Updated last year
 - Fast computation of a gaussian and its derivative on a grid.☆31Updated last month
 - C++ library for the implementation of tensor product calculations through a clean, concise user interface.☆25Updated 2 years ago
 - Numerical integration grid for molecules.☆50Updated 2 months ago
 - Up-scale python functions for high-performance computing (HPC)☆54Updated this week
 - MolSSI Integral Reference Project☆26Updated 4 years ago
 - Examples for the signac framework.☆15Updated 2 weeks ago
 - Fast Azimuthal Integration in Python☆119Updated last week
 - Software Suite for Advanced General Ensemble Simulations☆90Updated 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, …☆39Updated last week
 - Sassena — X-ray and neutron scattering calculated from molecular dynamics trajectories using massively parallel computers☆16Updated 9 years ago
 - An AiiDA plugin for dynamically defining workflows using Python functions☆17Updated 3 years ago
 - TREX I/O library☆61Updated last month
 - C++ and Python library for Polarizable Embedding☆22Updated last week
 - ☆19Updated 2 years ago
 - jobflow is a library for writing computational workflows.☆112Updated 2 weeks ago
 - ☆30Updated this week