Kuzma Khrabrov
4 papers · 2024–2025 · 3 venues · across top CS/AI venues
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Achievements
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Conference Polyglot · Bronze
Venues
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Keywords
chemical language model
(2)
benchmark evaluation
(1)
text generation
(1)
energy minimization
(1)
distribution shift
(1)
distributed representation
(1)
domain-specific evaluation
(1)
molecular representation
(1)
molecular property prediction
(1)
density functional theory
(1)
hamiltonian prediction
(1)
chemical structure
(1)
molecule representation
(1)
molecule captioning
(1)
large language model
(1)
neural network
(1)
molecular conformation
(1)
optimization trajectory
(1)
molecule retrieval
(1)
molecular retrieval
(1)
Papers
Two Steps from Hell: Compositionality on Chemical LMs
EMNLP 2025
$\nabla^2$DFT: A Universal Quantum Chemistry Dataset of Drug-Like Molecules and a Benchmark for Neural Network Potentials
NeurIPS 2024
Gradual Optimization Learning for Conformational Energy Minimization
ICLR 2024
Lost in Translation: Chemical Language Models and the Misunderstanding of Molecule Structures
EMNLP 2024