Explore @CCPBioSim Open Source projects

@CCPBioSim

CCPBioSim

Stars
181
Global Org. Rank 42,643 (Top 14 %)
Registered over 7 years ago
Most used languages

Jupyter Notebook
78.3 %

HTML
17.4 %

Python
4.3 %
Location 🇬🇧 United Kingdom
Country Total Rank 7,220
Country Ranking

Jupyter Notebook
222

HTML
1,262

Python
3,391

qmmm-workshop

Workshop teaching QMMM using Amber

Jupyter Notebook

fesetup

A tool for setting up free energy simulations.

MDAnalysis_ML_workshop

Jupyter Notebook

CCP5_Simulation_of_BioMolecules

Jupyter Notebook

clustering-workshop

Cluster analysis of MD simulation data using RMSD and PCA methods

Jupyter Notebook

md-workshop

Workshop that teaches how to set up and analyse molecular dynamics simulations

Jupyter Notebook

xswaps-workshop

Workshop teaching the basics of ligandswap, waterswap and proteinswap

python-and-data-workshop

Workshop that goes beyond beginner's python to give Jupyter use, intermediate python and data handling with pandas and matplotlib

pca-workshop

Jupyter Notebook

docking-workflow

Jupyter Notebook

msm-workshop

Jupyter Notebook

basic-statistics-workshop

Jupyter Notebook

basic-analysis-workshop

An introduction to basic interactive analysis of MD data

Jupyter Notebook

equilibration-workshop

A workshop to demonstrate approaches to assessing equilibration in MD simulations

Jupyter Notebook

isambard-workshop

Workshop to teach how to use Isambard

Jupyter Notebook

biosimspace-advanced-simulation

A workshop covering advanced biomolecular simulation methods with BioSimSpace.

propka-workshop

Jupyter Notebook

feanalysis-workshop

Workshop to teach how to analyse free energy calculations using analyse_freenrg

Jupyter Notebook

BSS_FEP_workshop_2022

Jupyter Notebook

BSS-alchemistry-workshop

Jupyter Notebook

ubiquitin-analysis-workshop

Jupyter Notebook

reduce-propka-workshop

Training workshop for Reduce and PropKa

Jupyter Notebook

biosimspace-workshop

Workshop to introduce and teach the BioSimSpace package