Josh Rackers (JoshRackers)

JoshRackers

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TinkerTools

Josh Rackers's repositories

density_mace

MACE for electronic structure

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equivariant_electron_density

Generate and predict molecular electron densities with Euclidean Neural Networks

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psi4

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

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tinker

TINKER Software Tools for Molecular Design

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e3nn_tutorial

repository and website for tutorials on 3d Euclidean equivariant neural networks

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Tinker-OpenMM

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

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Spoon-Knife

This repo is for demonstration purposes only.

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questions

questions directory from SWC

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