Pinned Loading

1. torch-molecule torch-molecule Public

   torch-molecule is a deep learning package for molecular discovery, designed with an sklearn-style interface for property prediction, inverse design and representation learning.

   Python 185 18

2. Llamole Llamole Public

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

   Python 27 1

3. Graph-DiT Graph-DiT Public

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

   Python 72 4

4. GREA GREA Public

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

   Python 42 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 20 2

6. SGIR SGIR Public

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

   Python 20 2