Stefan Gugler
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元字
Gorillaz
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Article-Journal
ReactionAtlas: Ab origine exploration of chemical reaction networks with machine learning
Jan 1, 2026
How simple can you go? An off-the-shelf transformer approach to molecular dynamics
Jan 1, 2026
Gradient-guided furthest point sampling for robust training set selection
Jan 1, 2026
Generative pseudo-force fields for molecular generation
Jan 1, 2026
Architecture of Chinese chemical element names
Jan 1, 2026
Towards Symbolic XAI -- Explanation Through Human Understandable Logical Relationships between Features
Jan 1, 2025
Physical-chemistry-inspired AI for catalyst design
Jan 1, 2025
Molecular similarity in machine learning of energies in chemical reaction networks
Jan 1, 2025
Enhancing diffusion models efficiency by disentangling total-variance and signal-to-noise ratio
Jan 1, 2025
Molecular relaxation by reverse diffusion with time step prediction
Jan 1, 2024
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