joaander / hoomd-blueLinks
☆19Updated 2 years ago
Alternatives and similar repositories for hoomd-blue
Users that are interested in hoomd-blue are comparing it to the libraries listed below
Sorting:
- Algorithms for fast alignment of structures in finite and periodic systems.☆14Updated 3 years ago
- Workflow management for signac-managed data spaces.☆48Updated 2 months ago
- Main ESPResSo++ repository☆45Updated last week
- GW100 data repository and post processing tools☆13Updated last year
- Make periodic table map plots and pettifor-style trend plots.☆28Updated 7 years ago
- Python framework for generating and validating pseudo potentials☆46Updated last year
- Library for chemical kinetics in homogeneous or isotropically symmetric inhomogenous systems.☆14Updated 2 years ago
- Developer repository for the LATTE code☆46Updated last week
- 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
- The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-b…☆42Updated 3 weeks ago
- NIST Interatomic Potential Repository property calculation tools☆24Updated 2 months ago
- MolSSI Integral Reference Project☆26Updated 4 years ago
- PyGBe: Python, GPUs and Boundary elements for electrostatics☆67Updated 2 years ago
- Databases and Interoperability in Quantum Chemistry☆13Updated 7 years ago
- Library for Green’s function based electronic structure theory calculations☆27Updated 4 months ago
- This is a mirror. Please check our main website on gitlab.☆28Updated this week
- This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …☆14Updated 7 years ago
- Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations☆81Updated 9 months ago
- Molecular Dynamics in the Open☆84Updated 3 weeks ago
- Plug-in to accelerate Quantum ESPRESSO v5 using NVIDIA GPU☆30Updated 8 years ago
- Atomistic Manipulation Toolkit☆36Updated last month
- Automatic code generation of Fast Multipole and Barnes-Hut operators☆18Updated 2 years ago
- Course repository for 06-640 - Molecular simulation☆25Updated 12 years ago
- MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…☆43Updated last week
- RADICAL-Pilot☆63Updated 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 this week
- This plugin enables VMD to display data stored in h5 files that are structured according to the H5MD specifications (http://nongnu.org/h5…☆11Updated 6 years ago
- The new generation molecular viewer for IPython notebook☆82Updated 5 years ago
- Data structures, algorithms, and parsing for crystallography☆51Updated 8 months ago
- ERKALE -- HF/DFT from Hel☆51Updated this week