{"total":13,"rows":[{"id":"2208.09481","title":"Graph neural networks for materials science and chemistry","created":"2022-08-05","cited_by_count":182,"area":null},{"id":"2105.03902","title":"Learning Gradient Fields for Molecular Conformation Generation","created":"2021-05-09","cited_by_count":163,"area":null},{"id":"2106.06610","title":"Scalars are universal: Equivariant machine learning, structured like classical physics","created":"2021-06-11","cited_by_count":127,"area":null},{"id":"2303.14269","title":"The Exact Sample Complexity Gain from Invariances for Kernel Regression","created":"2023-03-24","cited_by_count":28,"area":null},{"id":"2112.04624","title":"Deep Molecular Representation Learning via Fusing Physical and Chemical Information","created":"2021-11-28","cited_by_count":21,"area":null},{"id":"2501.03278","title":"DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules","created":"2025-01-05","cited_by_count":13,"area":null},{"id":"2303.00313","title":"Deep Learning Methods for Small Molecule Drug Discovery: A Survey","created":"2023-03-01","cited_by_count":10,"area":null},{"id":"2203.00128","title":"Learning Neural Hamiltonian Dynamics: A Methodological Overview","created":"2022-02-28","cited_by_count":8,"area":null},{"id":"2211.14042","title":"Molecular Joint Representation Learning via Multi-modal Information","created":"2022-11-25","cited_by_count":8,"area":null},{"id":"2204.05077","title":"Learning Trajectories of Hamiltonian Systems with Neural Networks","created":"2022-04-11","cited_by_count":4,"area":null},{"id":"2111.14053","title":"Towards Conditional Generation of Minimal Action Potential Pathways for Molecular Dynamics","created":"2021-11-28","cited_by_count":1,"area":null},{"id":"2201.08714","title":"Equivalent Distance Geometry Error for Molecular Conformation Comparison","created":"2021-11-13","cited_by_count":0,"area":null},{"id":"2508.06917","title":"CROP: Integrating Topological and Spatial Structures via Cross-View Prefixes for Molecular LLMs","created":"2025-08-09","cited_by_count":0,"area":null}],"next_cursor":null}