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Awesome molecular β curated papers, datasets & benchmarks Β· Awesome Large Language Models
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molecular
9 papers tagged molecular β re-sort below
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9 papers Β· trending (default)
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Where to cut, how deep: BPE and Unigram-LM on chemistry SMILES
(2026)
Hunter Heidenreich
2.00
Beyond Drug Discovery: The Nanotechnology Molecular Optimization (NMO) Benchmark
(2026)
Matthias Blaschke et al.
1.94
Mol-R1: Towards Explicit Long-CoT Reasoning in Molecule Discovery
(2025)
Jiatong Li et al.
1.28
DrugReasoner: Interpretable Drug Approval Prediction with a Reasoning-augmented Language Model
(2025)
Mohammadreza Ghaffarzadeh-Esfahani et al.
1.28
Chem-R: Learning to Reason as a Chemist
(2025)
Weida Wang et al.
1.28
AIonopedia: an LLM agent orchestrating multimodal learning for ionic liquid discovery
(2025)
Yuqi Yin et al.
1.28
BBA: Bi-Modal Behavioral Alignment for Reasoning with Large Vision-Language Models
(2024)
Xueliang Zhao et al.
β
Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning
(2024)
Gang Liu et al.
β
LLaMo: Large Language Model-based Molecular Graph Assistant
(2024)
Jinyoung Park et al.
β