MIST models up to 10x larger than prior work, fine-tuned on over 400 structure-property tasks, match or exceed SOTA on benchmarks and demonstrate zero-shot olfactory perception mapping consistent with hyperbolic geometry.
Merck Molecular Force Field. I. Basis, Form, Scope, Parameterization, and Performance of MMFF94
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
physics.chem-ph 1years
2025 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
Foundation Models for Discovery and Exploration in Chemical Space
MIST models up to 10x larger than prior work, fine-tuned on over 400 structure-property tasks, match or exceed SOTA on benchmarks and demonstrate zero-shot olfactory perception mapping consistent with hyperbolic geometry.