mphowardlab / gsd-vmdLinks
A VMD molfile plugin reader for HOOMD-blue GSD files.
☆20Updated last year
Alternatives and similar repositories for gsd-vmd
Users that are interested in gsd-vmd are comparing it to the libraries listed below
Sorting:
- An interactive structure viewer alongside its simulated diffraction pattern☆19Updated 3 weeks ago
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆50Updated 3 months ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆77Updated 2 weeks ago
- Sample molecular simulation workflows using a MoSDeF and community tools☆16Updated 3 years ago
- A library that enables code interoperability via the MolSSI Driver Interface.☆35Updated last week
- Estimate the self-diffusion coefficient of a trajectory with a Generalized Least Squares (GLS) optimization procedure.☆16Updated 3 years ago
- This small repository provides functionality for calculating the charge transfer integrals between two molecules.☆33Updated 2 years ago
- Software Suite for Advanced General Ensemble Simulations☆90Updated 2 years ago
- A scalable and versatile library to generate representations for atomic-scale learning☆83Updated 2 years ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆36Updated 3 months ago
- Python tool to manipulate Gaussian cube files☆49Updated 2 years ago
- Many-body dispersion library☆59Updated 3 months ago
- MoSDeF-GOMC: Python software for the creation of scientific workflows for the Monte Carlo simulation engine GOMC☆17Updated 3 weeks ago
- ☆11Updated 4 years ago
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆58Updated 3 weeks ago
- GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems☆85Updated 2 months ago
- Computational Chemistry Input Generator☆50Updated 4 months ago
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆22Updated 2 weeks ago
- A comprehensive tool for analyzing liquid solvation structure.☆54Updated 2 months ago
- Yet Another extended Hueckel Molecular Orbital Package☆28Updated 2 months ago
- A simple cube file viewer based on pythreejs☆25Updated 2 years ago
- helPME: an efficient library for particle mesh Ewald☆31Updated 3 years ago
- Tools to interface ChIMES with various external codes.☆25Updated last week
- a unified interface for molecular harmonic vibrational frequency calculations☆33Updated 6 months ago
- Library first implementation of the D3 dispersion correction☆78Updated this week
- Convert files from the ATB repository to LAMMPS format☆22Updated 5 months ago
- ☆62Updated 7 months ago
- Molden2AIM is a utility program which can be used to create AIM-WFN, AIM-WFX, and NBO-47 files from a Molden file.☆59Updated 6 months ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆80Updated 2 weeks ago
- Basis set optimization library for quantum chemistry☆36Updated 7 months ago