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Search results for python schrodinger

8 search results found

Quantum to Molecular Mechanics (Q2MM)

A python package for computer-aid drug design.

Python 2d Simulation Of Schrodinger Equation ⭐ 18

Une simulation de l'évolution d'un paquet d'onde gaussien

Schrodinger_utils ⭐ 12

Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desmond.

Schrodingereq_1d_tutorial ⭐ 11

Solving Schrodinger Equation Numerically

Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.

Solve the Schrodinger equation for a variety of 1D and 2D potentials.

Pytalises ⭐ 5

Easy to use Schrödinger equation solver

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