Popular repositories Loading

1. GridMAT-MD-Auto GridMAT-MD-Auto Public

   A python program for calculating and plotting area-per-lipid and bilayer thickness using GROMACS trajectory files. Uses a script: GridMAT-MD-parallel, originally written by Bevan Lab, Virginia Tech…

   Perl 2

2. TASS_WS_Reweighting TASS_WS_Reweighting Public

   This repository contains some python scripts for unbiasing TASS (Temperature Accelerated Sliced Sampling). This can also be used to unbiasing simulations run using other enhanced sampling methods. …

   Python 1

3. gmxMCPS gmxMCPS Public

   Forked from CPBPG/gmxMCPS

   Scripts for setting up and running the Monte Carlo Pathway Search algorithm (Haloi et al. Chem Sci. 2021) to obtain permeation paths.

   Python 1

4. IntroToGit IntroToGit Public

   Forked from jacopofar/IntroToGit

   Test repo for the git lesson

   Jupyter Notebook

5. ai-readiness-observatory ai-readiness-observatory Public

   Forked from meiradania/ai-readiness-observatory

   Answer the question: How is AI adoption changing work across countries, industries and occupations?