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Python_django's Projects

genmd icon genmd

generation scripts for molecular dynamics initial conditions

lammps icon lammps

Public development project of the LAMMPS MD software package

mdanalysis icon mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics trajectories.

minimal-mistakes icon minimal-mistakes

:triangular_ruler: A flexible two-column Jekyll theme. Perfect for personal sites, blogs, and portfolios hosted on GitHub or your own server.

mol_frame icon mol_frame

Chemical Structure Handling for Dask and Pandas DataFrames

openmm icon openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.

openmmtools icon openmmtools

An OpenMM toolkit with test systems, integrators, and alchemical support

psi4 icon psi4

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

scripts icon scripts

Various Python packages and programs

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