View Code? Open in Web Editor
NEW
C++ code for Markov Chain Monte Carlo simulations in the grand canonical ensemble.
License: MIT License
C++ 85.07%
Shell 4.09%
Python 10.85%
gcmc's Introduction
Repository
Description
Stats
WHAM
Python package to construct free energy profiles from biased molecular simulation data using both log-likelihood maximization and self-consistent iteration approaches.
postmetad
Python package for post-processing PLUMED metadynamics and OPES simulations.
stringmethod
Python implementation of the string method to compute the minimum energy path between two points on any 2-dimensional energy landscape.
pyves
Python package to perform variationally enhanced sampling for single-particle langevin dynamics with neural network bias potentials and path collective variables, using OpenMM + PyTorch.
INDUSAnalysis
Python package to analyze molecular simulation data generated using GROMACS-INDUS.
bootstrapping_tutorial
Jupyter notebook tutorial on bootstrapping (and other related methods) for resampling and calculating uncertainties from correlated timeseries data.
gcmc
C++ code for Markov Chain Monte Carlo simulations in the grand canonical ensemble.
Repository
Description
Stats
paperfetcher
Python package to automate handsearching and citation searching for systematic reviews.
paperfetcher-web-app
Streamlit web-app for paperfetcher.
paperfetcheR-Notebooks
R-Notebooks demonstrating how to use paperfetcher in R.
paperfetcheR-starter
R scripts to help you quickly get started with handsearching and citation searching using paperfetcher.
Repository
Description
Stats
gemini_penn
Unofficial fork of the Gemini beamerposter theme with the University of Pennsylvania logo, colors, and fonts.
GameOfLife
Conway's Game of Life on a rectangular 2D grid with OpenMP parallelization.
multiagent_timetable_scheduling
Netlogo implementation of a multi-agent based algorithm for solving a simplified version of the University Timetabling Problem, using Simulated Annealing.
keras_sklearn_models
tf2/keras deep learning models on image data and sklearn machine learning models on tabular data.
torch_models
Deep learning models in PyTorch.
gcmc's People
Contributors
gcmc's Issues
Add tests, setup CI using GitHub actions.
Refactor and restructure codebase. Set up CMake build system.