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1. GradTDDFTGradTDDFTPublic

   JAX research toolkit for differentiable TDDFT: strict-JAX SCF, TDA/Casida TDDFT, Neural Network XC/RSH training, spectra, integrals, and CUDA J/K experiments.

   Python 2

2. QHformerQHformerPublic

   SO(3)-Equivariant Hamiltonian Prediction with Hybrid Attention - A novel neural network for quantum chemistry

   Python

3. OPTXCOPTXCPublic

   This is a project for optimization of Exchange-Correlation Functionals in LR-TDDFT calculations.

   Jupyter Notebook

4. oh-my-auto-researchoh-my-auto-researchPublic

   Forked from AetherMindHarness/oh-my-auto-research

   Standards for letting AI agents conduct real research — autonomously, verifiably, and without trusting them to grade their own homework.

5. oh-my-llm-wikioh-my-llm-wikiPublic

   A local-first agent skill for turning paper reading and research conversations into an evidence-bounded Markdown wiki.

   Python

6. quantum-chem-skillsquantum-chem-skillsPublic

   Forked from silico-quantum/quantum-chem-skills

   Core quantum chemistry skills: PySCF, Multiwfn, xyzrender, MOMAP, RDKit, molecular sampling, xTB cluster MD — the foundation for silico-quantum pipelines

   Python