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1. torch-molecule torch-molecule Public

   torch-molecule is a developing package for molecular discovery using deep learning, designed with an sklearn-style interface for ease of use.

   Python 5 2

2. Llamole Llamole Public

   Llamole: Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning

   Python 17 1

3. Graph-DiT Graph-DiT Public

   The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"

   Python 57 3

4. GREA GREA Public

   [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"

   Python 40 6

5. Data-Centric-Transfer Data-Centric-Transfer Public

   [NeurIPS'23] Source code of "Data-Centric Learning from Unlabeled Graphs with Diffusion Model": A data-centric transfer learning framework with diffusion model on graphs.

   Python 19 2

6. SGIR SGIR Public

   [KDD'23] Source codes of "Semi-Supervised Graph Imbalanced Regression"

   Python 20 2