ccsd

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Here are 4 public repositories matching this topic...

AdrienC21 / CCSD

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Combinatorial Complex Score-based Diffusion model using stochastic differential equations

Updated Sep 18, 2023
Python

pulkin / cc-diagrams

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Automatic diagram and code generation of quantum chemistry coupled-cluster equations

physics quantum-chemistry diagrams electronic-structure ccsd pyscf coupled-cluster cc-diagrams ccsdt ccsdtq

Updated May 16, 2018
Python

qcryptly / chemical-machines

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Biophysics and Drug Design Platform + Notebook

dft molecular-dynamics pytorch density-functional-theory computational-chemistry drug-discovery quantum-chemistry hartree-fock ccsd basis-sets

Updated May 9, 2026
Python

qenex-ai / qenex-verifier

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Open-source reproducer subset for the QENEX LAB v2 paper. Run `bash verify.sh` for one-command bit-level reproducibility check of every numeric claim in the abstract.

dft open-science quantum-chemistry reproducibility hartree-fock verifier ccsd chemrxiv-companion

Updated May 21, 2026
Python

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