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:
- Software Suite for Advanced General Ensemble Simulations☆89Updated 2 years ago
- An interactive structure viewer alongside its simulated diffraction pattern☆19Updated last month
- Python tool to manipulate Gaussian cube files☆49Updated 2 years ago
- A library that enables code interoperability via the MolSSI Driver Interface.☆34Updated 2 months ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆35Updated 2 months ago
- Many-body dispersion library☆58Updated 2 months ago
- Sample molecular simulation workflows using a MoSDeF and community tools☆16Updated 3 years ago
- Library first implementation of the D3 dispersion correction☆77Updated 4 months ago
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆76Updated 7 months ago
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆49Updated 2 months ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆77Updated last week
- This small repository provides functionality for calculating the charge transfer integrals between two molecules.☆33Updated 2 years 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
- A scalable and versatile library to generate representations for atomic-scale learning☆83Updated 2 years ago
- ☆11Updated 4 years ago
- Tight Binding Machine Learning Toolkit☆45Updated last month
- This library tackles the construction and efficient execution of computational chemistry workflows☆52Updated last year
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆21Updated last week
- Molecular structure optimizer☆128Updated 3 years ago
- Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.☆128Updated last week
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆56Updated this week
- Yet Another extended Hueckel Molecular Orbital Package☆28Updated 2 months ago
- GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems☆85Updated last month
- code for single-ended and double-ended molecular GSM☆64Updated last month
- std2 program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, SF-sTD-DFT, XsTDA, XsTD-DF…☆50Updated 3 months ago
- Python library for reading, writing, and converting computational chemistry file formats and generating input files.☆153Updated last month
- Computational Chemistry Input Generator☆50Updated 3 months ago
- ASE density-functional tight-binding calculator☆68Updated 11 months ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆29Updated 4 years ago
- a tool for creating Molecular Dynamics-ready models of polymeric systems☆23Updated 6 years ago