Name: Irfan Alibay
Type: User
Company: The Open Molecular Software Foundation
Bio: Senior RSE @ Open Molecular Software Foundation | MDAnalysis & OpenFE - Views and comments are my own - (image: @fiona-naughton)
Twitter: highspeedmode
Location: United Kingdom
alchemiscale
a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home
alchemiscale-utilities
Utility scripts for handling submissions, analysis of alchemical transformations using Alchemiscale
alchemlyb
the simple alchemistry library
biosimspace-mdrquery
Code and resources for the EPSRC BioSimSpace project.
cg2at
Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)
checkstructure
MDAnalysis analysis class for checking structure quality
conda-forge-pinning-feedstock
A conda-smithy repository for conda-forge-pinning.
distopia-feedstock
A conda-smithy repository for distopia.
fragment-opt-abfe-benchmark
Benchmark set for absolute binding free energy calculations of fragment optimisations
gpu-monitor
Basic GPU monitoring utility
grimoirelabdeployments
A repository of Grimoirelab deployment configs for various projects
hole2-mdakit
An MDAKit implementing a Python interface for the HOLE program.
hpc_schedulers
Which schedulers do public facing HPC systems use?
lintools
Python script that creates 2D protein-ligand interaction images
lipyds
mdahole2-feedstock
A conda-smithy repository for mdahole2.
mdakit_sasa
Toolkit to calculate the surface accessible area of a molecular dynamic trajectory
mdakits
The MDAnalysis Toolkits Registry
mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
mdanalysis-feedstock
A conda-smithy repository for mdanalysis.
mdanalysis-talks
A repository for MDAnalysis talks
mdanalysis.github.io
MDAnalysis home page mdanalysis.org as GitHub pages.
mdrestraintsgenerator
Python code for generating Boresch restraints from MD simulations
openfe-feedstock
A conda-smithy repository for openfe.
openfe-scripts
A collection of scripts for handling OpenFE in non-standard ways
openfe_showcases
Working grounds for showcasing OpenFE capabilities
openff-nagl
OpenFF NAGL
openff-toolkit
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
openmm-mdanalysis-reporter
openmmforcefields
CHARMM and AMBER forcefields for OpenMM (with small molecule support)
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
Django
The Web framework for perfectionists with deadlines.
Laravel
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
Microsoft
Open source projects and samples from Microsoft.
Google
Google ❤️ Open Source for everyone.
Alibaba
Alibaba Open Source for everyone
D3
Data-Driven Documents codes.
Tencent
China tencent open source team.
