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  • Université Paris-Saclay
  • Paris
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Showing results

tools for dealing with titratable MARTINI

Python 5 Updated Jul 26, 2019
Jupyter Notebook 1 Updated Aug 4, 2021
Python 30 4 Updated Jul 11, 2024

QSARtuna: QSAR model building with the optuna framework

Jupyter Notebook 80 14 Updated Jul 25, 2024

AcadHomepage: A Modern and Responsive Academic Personal Homepage

SCSS 1,175 2,129 Updated Jul 29, 2024

Collection of interaction and molecule parameters for the Martini3 force-field

Python 11 3 Updated Feb 7, 2023

OFFICIAL: AnteChamber PYthon Parser interfacE

Python 189 45 Updated Jul 15, 2024

MDANCE is a flexible n-ary clustering package for all applications.

Python 17 4 Updated Jul 28, 2024

INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems

Python 41 24 Updated Apr 11, 2024

A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on the reticular approach

Python 40 1 Updated Jul 1, 2024

Martini 3 small-molecule database

Shell 53 10 Updated Apr 26, 2024

Generate coarse-grained molecular dynamics models from atomistic trajectories.

Python 57 11 Updated Dec 8, 2022