ziima / pyvmd
Python tools for VMD
☆10Updated 6 years ago
Related projects ⓘ
Alternatives and complementary repositories for pyvmd
- Datasets for open forcefield parameterization and development☆11Updated 5 years ago
- This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …☆14Updated 6 years ago
- a logistics and persistence engine for the analysis of molecular dynamics trajectories☆30Updated 4 years ago
- Winter is coming...☆12Updated 5 years ago
- TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.☆22Updated last year
- MD trajectory server☆35Updated last year
- Chemical perception tree automated exploration tool.☆19Updated 6 years ago
- The new generation molecular viewer for IPython notebook☆82Updated 4 years ago
- Analyze correlated motions in MD trajectories with only a few lines of Python.☆31Updated 6 years ago
- Data visualizations for biomolecular dynamics☆17Updated 6 years ago
- Template-directed automatic generation of transition state structures.☆9Updated 8 years ago
- ☆12Updated 9 years ago
- GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.☆29Updated last week
- Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.☆14Updated 6 years ago
- Implementation of various machine learning representations for molecules☆24Updated 2 years ago
- Virtual screening and cheminformatics utilities☆14Updated 8 years ago
- persistent, pythonic trees for heterogeneous data☆32Updated 2 years ago
- For discussing and aggregating data for force field development☆15Updated 8 years ago
- Simple library for reading trajectory coordinates☆17Updated 8 years ago
- Databases and Interoperability in Quantum Chemistry☆13Updated 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…☆10Updated 5 years ago
- Library for chemical kinetics in homogeneous or isotropically symmetric inhomogenous systems.☆14Updated last year
- kinetic isotope effect prediction with Gaussian☆15Updated last year
- Container-based installation of pymol, with interaction through the browser via Jupyter notebook☆18Updated 5 years ago
- A lightweight C++11 Monte Carlo molecular simulation engine☆9Updated 7 years ago
- Basis sets, estimators and solvers for the variational approach of conformation dynamics. NOTE: the code has been merged with PyEMMA and …☆10Updated 7 years ago
- Automated omics-scale protein modeling and simulation setup.☆52Updated 3 years ago
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆55Updated last week
- ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages☆17Updated 5 years ago
- ParFit automates the process of fitting molecular-mechanics parameters to data obtained by ab-initio calculations.☆9Updated 7 years ago