Learning to Optimize Molecules with a Chemical Language ModelJerret RossSamuel Hoffmanet al.2024NeurIPS 2024
Improving Structural Plausibility in 3D Molecule Generation via Property-Conditioned Training with Distorted MoleculesLucy VostVijil Vijilet al.2024NeurIPS 2024
Automated, LLM enabled extraction of synthesis details for reticular materials from scientific literatureViviane T. SilvaAlexandre Rademakeret al.2024NeurIPS 2024
Enhancing Reasoning to Adapt Large Language Models for Domain-Specific ApplicationsBo WenXin Zhang2024NeurIPS 2024
Enhancing Molecular Expressiveness through Multi-View RepresentationsIndra Priyadarsini SSeiji Takedaet al.2024NeurIPS 2024
Towards Using Large Language Models and Deep Reinforcement Learning for Inertial Fusion EnergyVadim ElisseevMax Espositoet al.2024NeurIPS 2024
Regress, Don’t Guess – A Regression-like Loss on Number Tokens for Language ModelsJonas ZausingerLars Penniget al.2024NeurIPS 2024
SELF-BART : A Transformer-based Molecular Representation Model using SELFIESIndra Priyadarsini SSeiji Takedaet al.2024NeurIPS 2024
A Mamba-Based Foundation Model for ChemistryEmilio Ashton Vital BrazilEduardo Almeida Soareset al.2024NeurIPS 2024