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  1. Home
  2. /Repositories
  3. /atomistic-machine-learning/schnetpack
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repoGitHubTrust 82 · PrimaryPublished 2d agoLive · 2d ago

atomistic-machine-learning/schnetpack

SchNetPack - Deep Neural Networks for Atomistic Systems

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) · 54%Q-GAIN: A Python Package for Machine Learning and Physically Informed Analysis Applications →
  • PossiblePossibly related (embedding) · 49%An Optimisation Framework for the Well-Conditioned Training of Physics-Informed Neural Networks →
  • PossiblePossibly related (embedding) · 49%Active rejection enables reliable generalization of universal machine-learning interatomic potentials →
  • PossiblePossibly related (embedding) · 48%Hamiltonian Neural Networks from a Differential Geometry Perspective [D] →
  • PossiblePossibly related (embedding) · 48%One More Time: Revisiting Neural Quantum States from a Reinforcement Learning Perspective →

Implements

paperQ-GAIN: A Python Package for Machine Learning and Physically Informed Analysis ApplicationspaperAn Optimisation Framework for the Well-Conditioned Training of Physics-Informed Neural NetworkspaperActive rejection enables reliable generalization of universal machine-learning interatomic potentialspaperOne More Time: Revisiting Neural Quantum States from a Reinforcement Learning Perspective

Covers

newsHamiltonian Neural Networks from a Differential Geometry Perspective [D]

Related across the graph

paperOne More Time: Revisiting Neural Quantum States from a Reinforcement Learning PerspectivepaperAn Optimisation Framework for the Well-Conditioned Training of Physics-Informed Neural NetworkspaperActive rejection enables reliable generalization of universal machine-learning interatomic potentialsnewsHamiltonian Neural Networks from a Differential Geometry Perspective [D]paperQ-GAIN: A Python Package for Machine Learning and Physically Informed Analysis Applications
Knowledge path·POne More Time: Revisiting Neural Quantum States from a Reinforcement Learning Perspective→PAn Optimisation Framework for the Well-Conditioned Training of Physics-Informed Neural Networks→PActive rejection enables reliable generalization of universal machine-learning interatomic potentials→Ratomistic-machine-learning/schnetpack

Topics

condensed-mattermachine-learningmolecular-dynamicsneural-networkquantum-chemistry

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Search similar →Knowledge graph →All repos →Full intelligence feed →
Graph trust82Primary
Graph score932