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Projects in Awesome Lists tagged with mdanalysis
A curated list of projects in awesome lists tagged with mdanalysis .
https://github.com/mdanalysis/mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
computational-chemistry mdanalysis molecular-dynamics molecular-dynamics-simulation molecular-simulation python science trajectory-analysis
Last synced: 01 Oct 2024
https://github.com/AngelRuizMoreno/Jupyter_Dock
Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
autodock autodock-vina cheminformatics computational-biology drug-design drug-discovery drug-repurposing jupyter-notebook ledock mdanalysis molecular-docking openbabel protein protein-structure py3dmol rdkit
Last synced: 09 Aug 2024
https://github.com/becksteinlab/imdreader
prototype IMDReader for MDAnalysis
Last synced: 29 Sep 2024
