wittler-github Goto Github PK
Name: Henry Wittler
Type: User
Company: https://matwislabs.tech/
Location: Affiliate to various universities, Case Western Reserve University etc.
Henry Wittler's Projects
a_md_analysis_of_insulin
Information, Scripts and code related to Thesis "A Molecular Dynamics Analysis of Insulin" , authors: Doctoral student Henry Wittler; Supervisor Brian J. Smith; Dep. of Chemistry and Physics, La Trobe University
ai-in-drug-discovery
Some minor scripts and exercises for a course held at Uppsala University
analysis
bioinformatics
calc
A simple Python calculator.
chemdes
An integrated web-based platform for molecular descriptor and fingerprint computation
gmxapi
Gromacs API
gromacs
Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use Gerrit for code review and Redmine for issue tracking.
imaging-and-detection-simulation-and-data-analysis
matplotlib
matplotlib: plotting with Python
md_workflow
Molecular dynamics workflow directory structure
mdtraj
A modern, open library for the analysis of molecular dynamics trajectories
molecular-dynamics-gmx
MD Run and Analysis scripts
orange3
🍊 :bar_chart: :bulb: Orange: Interactive data analysis
reinvent
various-scientific-scripts
Various scientific scripts in Matlab and Python
visualizernaseq
R scripts used for visualization of RNA-seq data
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