ziima / pyvmdLinks
Python tools for VMD
☆10Updated 7 years ago
Alternatives and similar repositories for pyvmd
Users that are interested in pyvmd are comparing it to the libraries listed below
Sorting:
- Datasets for open forcefield parameterization and development☆11Updated 5 years ago
- Winter is coming...☆12Updated 6 years ago
- Template-directed automatic generation of transition state structures.☆11Updated 8 years ago
- The new generation molecular viewer for IPython notebook☆82Updated 5 years ago
- Analyze correlated motions in MD trajectories with only a few lines of Python.☆32Updated 7 years ago
- ☆12Updated 10 years ago
- This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …☆14Updated 7 years ago
- Databases and Interoperability in Quantum Chemistry☆13Updated 7 years ago
- Library for chemical kinetics in homogeneous or isotropically symmetric inhomogenous systems.☆14Updated 2 years ago
- TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.☆23Updated last year
- Chemical perception tree automated exploration tool.☆19Updated 6 years ago
- 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
- ☆19Updated 2 years ago
- funsies is a lightweight workflow engine 🔧☆41Updated 3 years ago
- a logistics and persistence engine for the analysis of molecular dynamics trajectories☆30Updated 5 years ago
- Tools for estimating and analyzing Markov state models☆42Updated 2 years ago
- An embeddable webGL molecule viewer and file format converter.☆86Updated 3 years ago
- The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-b…☆41Updated last week
- MD trajectory server☆34Updated 2 years ago
- Data visualizations for biomolecular dynamics☆17Updated 6 years ago
- ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages☆17Updated 5 years ago
- Modern and fast molecular analysis and modeling library for C++ and Python☆35Updated 2 months ago
- kinetic isotope effect prediction with Gaussian☆16Updated 2 years ago
- Make valid molecular graphs!☆22Updated last year
- A lightweight C++11 Monte Carlo molecular simulation engine☆9Updated 7 years ago
- The RADICAL Ensemble Toolkit☆29Updated last month
- A python library for the analysis of chemical reaction networks.☆22Updated 2 years ago
- For discussing and aggregating data for force field development☆15Updated 8 years ago
- 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
- A C++ library for molecular modelling, cheminformatics and molecular visualization.☆55Updated 3 years ago