cc-ats

cc-ats

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qed-tddft

Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis

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Tutorials

Introductions to AlphaFold, RoseTTAFold, and OmegaFold covered in the course CHEM5570-100 at the University of Oklahoma

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deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

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edc

Electron density change visualization

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Neural_Network

Predicting atomization energies of organic molecules with DNN

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pyscf-doc

pyscf-doc

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JuQC.jl

Julia Quantum Chemistry Package

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