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  1. Home
  2. /Repositories
  3. /deepmodeling/DeePTB
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repoGitHubTrust 82 · PrimaryPublished 1mo agoLive · 1mo 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).

Why these links exist

Every edge carries a method, confidence, and the source snippet that justified it — so bad links are debuggable.

  • PossiblePossibly related (embedding) · 52%Beyond Drug Discovery: The Nanotechnology Molecular Optimization (NMO) Benchmark →
  • PossiblePossibly related (embedding) · 49%Q-GAIN: A Python Package for Machine Learning and Physically Informed Analysis Applications →
  • PossiblePossibly related (embedding) · 48%Bridging the NISQ and Fault-Tolerant Regimes: Generative-ML-Assisted Quantum Selected CI for Molecular Simulations →
  • PossiblePossibly related (embedding) · 47%Bridging Ab Initio Symmetries and Global Nuclear Masses with Interpretable Neural Networks →
  • PossiblePossibly related (embedding) · 47%Helix-7B →
  • PossiblePossibly related (embedding) · 54%Active rejection enables reliable generalization of universal machine-learning interatomic potentials →

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

Implements (incoming)

paperActive rejection enables reliable generalization of universal machine-learning interatomic potentials

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) BenchmarkpaperActive rejection enables reliable generalization of universal machine-learning interatomic potentialspaperBridging 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→PActive rejection enables reliable generalization of universal machine-learning interatomic potentials→Rdeepmodeling/DeePTB

Topics

dfthamiltonianmachine-learningslater-kostertight-binding

Explore

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Graph trust82Primary
Graph score116