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diffqc/dqc

Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)

Owner
diffqc (organization)
Stars
Stars: 125
Forks
Forks: 15
Language
Python
License
Apache-2.0
Created
2020
Topics
quantum-chemistrydensity-functional-theoryautomatic-differentiationcomputational-chemistrycomputational-physicshartree-fock
Tier
Prototype (100 to 249 ★) What this tier means
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