wittler-github
https://matwislabs.tech/Affiliate to various universities, Case Western Reserve University etc.
Pinned Repositories
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
Imaging-and-Detection-simulation-and-data-analysis
matplotlib
matplotlib: plotting with Python
mdtraj
A modern, open library for the analysis of molecular dynamics trajectories
wittler-github's Repositories
wittler-github/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
wittler-github/AI-in-drug-discovery
Some minor scripts and exercises for a course held at Uppsala University
wittler-github/gmxapi
Gromacs API
wittler-github/Imaging-and-Detection-simulation-and-data-analysis
wittler-github/matplotlib
matplotlib: plotting with Python
wittler-github/mdtraj
A modern, open library for the analysis of molecular dynamics trajectories
wittler-github/Analysis
wittler-github/BioInformatics
wittler-github/calc
A simple Python calculator.
wittler-github/ChemDes
An integrated web-based platform for molecular descriptor and fingerprint computation
wittler-github/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.
wittler-github/MD_workflow
Molecular dynamics workflow directory structure
wittler-github/Molecular-Dynamics-GMX
MD Run and Analysis scripts
wittler-github/orange3
🍊 :bar_chart: :bulb: Orange: Interactive data analysis
wittler-github/Reinvent
wittler-github/Various-Scientific-Scripts
Various scientific scripts in Matlab and Python
wittler-github/VisualizeRNAseq
R scripts used for visualization of RNA-seq data