Scipion framework plugin for the use of tools provided by Schrodinger software suite
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Updated
Sep 16, 2024 - Python
Scipion framework plugin for the use of tools provided by Schrodinger software suite
A python package for computer-aid drug design.
Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desmond.
An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution of Jaguar and AutoTS calculations for molecular thermodynamics and kinetics.
Pilot, Hasty, but Amazing Schrodinger Equation Solution
Quantum to Molecular Mechanics (Q2MM)
Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.
This repository contains Python 3 scripts for simulating the passage of a 2D Gaussian wave packet through a double slit. For this, the 2D Schrödinger equation is solved using the Crank-Nicolson numerical method.
physics and science projects in python
Easy to use Schrödinger equation solver
Python script to visualize spherical harmonics.
Schrodinger Equation Complex PDE Solver
Solve the Schrodinger equation for a variety of 1D and 2D potentials.
Une simulation de l'évolution d'un paquet d'onde gaussien
code to simulate the time propagation of a wavefunction under a defined potential. scientific integrity has not been validated.
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