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1. GraphMVP GraphMVP Public

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

   Python 173 21

2. GeoSSL GeoSSL Public

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

   Python 43 1

3. ChatDrug ChatDrug Public

   LLM for Drug Editing, ICLR 2024

   Python 142 8

4. Geom3D Geom3D Public

   Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023

   Python 114 11

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 38 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 210 21