conftrace_

smiles notation

2 papers

Explore in graph

Also known as

SMILES

Co-occurring keywords · papers mentioning both

molecule generation (2) weighted counting (1) valid molecule generation (1) selfies representation (1) validity constraint (1) chemical language model (1) large language model (1) smiles representation (1) constraint programming (1) grammar constraint (1)

Papers

Constrained Molecule Generation Modelled Using the Grammar Constraint AAAI 2026 How to Make Large Language Models Generate 100% Valid Molecules? EMNLP 2025