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molecular machine learning

4 papers

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Co-occurring keywords · papers mentioning both

molecular property prediction (2) transfer learning (2) quantum mechanical energies (1) graph-like molecular data (1) atomization energy prediction (1) molecular geometry (1) atomization energy (1) graph-like data (1) foundation model (1) pre-trained model (1)

Papers

Beyond Efficiency: Molecular Data Pruning for Enhanced Generalization NeurIPS 2024 Molecular Data Programming: Towards Molecule Pseudo-labeling with Systematic Weak Supervision CVPR 2024 Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets ICLR 2024 Learning Invariant Representations of Molecules for Atomization Energy Prediction NeurIPS 2012