h5md / VMD-h5mdplugin
This plugin enables VMD to display data stored in h5 files that are structured according to the H5MD specifications (http://nongnu.org/h5md/)
☆10Updated 5 years ago
Related projects ⓘ
Alternatives and complementary repositories for VMD-h5mdplugin
- This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …☆14Updated 6 years ago
- Numerical integration grid for molecules.☆47Updated last month
- An API for the Polarizable Continuum Model☆33Updated last year
- Algorithms for fast alignment of structures in finite and periodic systems.☆11Updated 2 years ago
- Transfrormation between Cartesian coordinates and redundant internal coordinates☆22Updated 2 years ago
- MolSSI Integral Reference Project☆24Updated 3 years ago
- Coarse-graining potentials from atomistic references made easy☆26Updated 3 years ago
- ☆11Updated 6 months ago
- Databases and Interoperability in Quantum Chemistry☆13Updated 6 years ago
- A Framework for Metropolis Monte Carlo Simulation of Molecular Systems☆65Updated 2 weeks ago
- A lightweight C++11 Monte Carlo molecular simulation engine☆9Updated 7 years ago
- A library that enables code interoperability via the MolSSI Driver Interface.☆32Updated last month
- Fast computation of a gaussian and its derivative on a grid.☆29Updated 6 months ago
- Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids☆31Updated 2 years ago
- Computational Chemistry Input Generator☆42Updated last week
- TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.☆22Updated last year
- Implementation of various machine learning representations for molecules☆24Updated 2 years ago
- Code generator for simint vectorized integrals☆28Updated last year
- Yet Another extended Hueckel Molecular Orbital Package☆19Updated 7 months ago
- optking: A molecular geometry optimization program☆21Updated 2 months ago
- ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages☆17Updated 5 years ago
- helPME: an efficient library for particle mesh Ewald☆27Updated 2 years ago
- Flexible storage of chemical topology for molecular simulation☆52Updated this week
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆20Updated this week
- MD trajectory server☆35Updated last year
- an interface to semi-empirical quantum chemistry methods implemented with pytorch☆43Updated last week
- Code for performing adversarial attacks on atomistic systems using NN potentials☆32Updated 2 years ago
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Updated 5 months ago
- Parallel implementation of the Effective Fragment Potential Method☆24Updated 2 years ago
- C++ library for the implementation of tensor product calculations through a clean, concise user interface.☆21Updated last year