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  1. Home
  2. /Repositories
  3. /deepmodeling/DeePTB
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repoGitHubTrust 82 · PrimaryPublished 13h agoLive · 8h ago

deepmodeling/DeePTB

DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.

Lineage graph

Paper → model → repo connections mined from source citations (Tier-1 exact match).

Implements

paperBeyond Drug Discovery: The Nanotechnology Molecular Optimization (NMO) BenchmarkpaperQ-GAIN: A Python Package for Machine Learning and Physically Informed Analysis ApplicationspaperBridging the NISQ and Fault-Tolerant Regimes: Generative-ML-Assisted Quantum Selected CI for Molecular SimulationspaperBridging Ab Initio Symmetries and Global Nuclear Masses with Interpretable Neural Networks

Related to

modelHelix-7B

Related across the graph

paperBridging the NISQ and Fault-Tolerant Regimes: Generative-ML-Assisted Quantum Selected CI for Molecular SimulationspaperBeyond Drug Discovery: The Nanotechnology Molecular Optimization (NMO) BenchmarkpaperBridging Ab Initio Symmetries and Global Nuclear Masses with Interpretable Neural NetworkspaperQ-GAIN: A Python Package for Machine Learning and Physically Informed Analysis ApplicationsmodelHelix-7B
Knowledge path·PBridging the NISQ and Fault-Tolerant Regimes: Generative-ML-Assisted Quantum Selected CI for Molecular Simulations→PBeyond Drug Discovery: The Nanotechnology Molecular Optimization (NMO) Benchmark→PBridging Ab Initio Symmetries and Global Nuclear Masses with Interpretable Neural Networks→Rdeepmodeling/DeePTB

Topics

dfthamiltonianmachine-learningslater-kostertight-binding

Explore

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Graph trust82Primary
Graph score116