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Name: Khaled Abdel Maksoud
Type: User
Company: Charles River Laboratories
Bio: CADD + Machine Learning Scientist - Charles River Laboratories
Location: Saffron Walden
Khaled Abdel Maksoud's Projects
analysis_scripts
Repo of simple to complex analysis scripts for analysing metadynamics/enhanced sampling simulations
betterdiscordaddons
A series of plugins and themes for BetterDiscord.
crypticswish
Scripts that are helpful to setup SWISH simulations (documentation under development, use with caution)
gen_archimedean_spiral
A python script and Jupyter Notebook to generate an Archimedean spiral
md_misc
Miscellaneous scripts and templates for simple one-system MD/MC engines in Python and C++
mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
openmmslicer
quantumkittencannon
Cohort 3 Outreach project
robosample
sarscov2_metad
PLUMED-NEST archive files for the study "Dyad Orientation-Dependent Regulation of SARS-CoV-2 Protease: Towards Informed Structure-Based Drug Discovery"
tmcs-2018-freshstart
tmcs-coding
Library of programs developed during training year of TMCS CDT (Year 1)
ymf_scripts
A library of all the scripts used to generate animations for the YMF 2019 Presentation - "Towards more selective enhanced sampling of biomolecular dynamics"
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