"molecular representations" Papers

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ChemPile: A 250 GB Diverse and Curated Dataset for Chemical Foundation Models

Adrian Mirza, Nawaf Alampara, Martiño Ríos-García et al.

NEURIPS 2025
5
citations

Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model

Dongki Kim, Wonbin Lee, Sung Ju Hwang

NEURIPS 2025arXiv:2502.13449
12
citations

OligoGym: Curated Datasets and Benchmarks for Oligonucleotide Drug Discovery

Rachapun Rotrattanadumrong, Carlo De Donno

NEURIPS 2025