Discover @IAlibay Open Source projects

Irfan Alibay (@IAlibay)

IAlibay

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38
Global Rank 413,863 (Top 15 %)
Followers 114
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Registered over 9 years ago
Most used languages

Python
57.1 %

Jupyter Notebook
42.9 %
Location 🇬🇧 United Kingdom
Country Total Rank 20,894
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Jupyter Notebook
1,851

Python
4,255

MDRestraintsGenerator

Python code for generating Boresch restraints from MD simulations

MDAnalysis-talks

A repository for MDAnalysis talks

Jupyter Notebook

saltpy

A python toolset for calculating and adding salt concentration to solvated atomistic systems

alchemiscale-utilities

Utility scripts for handling submissions, analysis of alchemical transformations using Alchemiscale

Jupyter Notebook

fragment-opt-abfe-benchmark

Benchmark set for absolute binding free energy calculations of fragment optimisations

OpenFE_showcases

Working grounds for showcasing OpenFE capabilities

Jupyter Notebook

GrimoireLabDeployments

A repository of Grimoirelab deployment configs for various projects