Irfan Alibay's starred repositories
AutoDock-Vina
AutoDock Vina
condacolab
Install Conda and friends on Google Colab, easily
soc-viz-of-the-week
Son of a Corner's viz of the week
gnina-torch
🔥 PyTorch implementation of GNINA scoring function for molecular docking
WorkshopPrace2021
Materials for the 2021 PRACE Workshop @ SurfSARA
membrane-curvature
MDAnalysis tool to calculate membrane curvature.
alchemiscale
a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home
MDAnalysis.github.io
MDAnalysis home page mdanalysis.org as GitHub pages.
molstarview
Try to bring molstar to Jupyter notebook (no lab yet).
infrastructure
Policies, Configurations, and Documentation of NumFOCUS Managed Infrastructure
cookiecutter-mdakit
Cookiecutter for Python packages based on MDAnalysis
hole2-mdakit
An MDAKit implementing a Python interface for the HOLE program.
mdanalysis-sphinx-theme
The official MDAnalysis Sphinx documentation theme.
ofe-sphinx-theme
Sphinx theme for Open Free Energy software based on the PyData theme.