conftrace_

molecular matching

2 papers

Explore in graph

Co-occurring keywords · papers mentioning both

multi-metrics evaluation (1) molecular analogue matching (1) molecule similarity (1) substructures (1) atoms (1) task-level generalization (1) computational chemistry (1) hierarchical pooling (1) drug discovery (1) computational efficiency (1)

Papers

UniMatch: Universal Matching from Atom to Task for Few-Shot Drug Discovery ICLR 2025 MapLE: Matching Molecular Analogues Promptly with Low Computational Resources by Multi-Metrics Evaluation (Student Abstract) AAAI 2024