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Achievement: Starstruckx2Achievement: Arctic Code Vault ContributorAchievement: Pull Sharkx2
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Pinned

  1. GraphMVP GraphMVP Public

    Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)

    Python 145 20

  2. GeoSSL GeoSSL Public

    GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1dvR)

    Python 36 1

  3. ChatDrug ChatDrug Public

    LLM for Drug Editing, ICLR 2024

    Python 119 8

  4. Geom3D Geom3D Public

    Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023

    Python 99 9

  5. n_gram_graph n_gram_graph Public

    N-Gram Graph: Simple Unsupervised Representation for Graphs, NeurIPS'19 (https://arxiv.org/abs/1806.09206)

    Python 35 8

  6. MoleculeSTM MoleculeSTM Public

    Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42256-023-00759-6)

    Python 174 17