Rupan

chemistry

4 items with this tag.

Jul 05, 2026
Neural Message Passing for Quantum Chemistry
- cs/ai
- chemistry
Jun 23, 2026
Exploring transition states of protein conformational changes via out-of-distribution detection in the hyperspherical latent space
Jun 23, 2026
GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks
- cs/ai
- chemistry
Jun 23, 2026
VAMPnets for deep learning of molecular kinetics
- chemistry
- cs/ai

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