Artem Tsypin

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authored 2 papers almost 2 years ago

$\nabla^2$DFT: A Universal Quantum Chemistry Dataset of Drug-Like Molecules and a Benchmark for Neural Network Potentials

Paper • 2406.14347 • Published Jun 20, 2024 • 103

Gradual Optimization Learning for Conformational Energy Minimization

Paper • 2311.06295 • Published Nov 5, 2023