Kuzma Khrabrov

1. Gradual Optimization Learning for Conformational Energy Minimization
   2023/11/05 by Artem Tsypin, Leonid Ugadiarov, Tsypin, Artem +17 · 3 citations
   Chemistry · Computer Science · Materials Science · #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Various Chemistry Research Topics
2. ∇²DFT: A Universal Quantum Chemistry Dataset of Drug-Like Molecules and a Benchmark for Neural Network Potentials
   2024/06/20 by Kuzma Khrabrov, Khrabrov, Kuzma, Anton Ber +23 · 3 citations
   Chemistry · Computer Science · #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Various Chemistry Research Topics