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1. DrugAssist DrugAssist Public

   [Briefings In Bioinformatics] DrugAssist: A Large Language Model for Molecule Optimization

   Python 129 13

2. CGCL-codes/MXNet-G CGCL-codes/MXNet-G Public

   CCGRID 2019: MXNet-G is a deep learning framework designed based on MXNet. It allows you to train models with a novel distributed SGD (Stochastic Gradient Descent) algorithm named Grouping-SGD. A n…

   C++ 10 5

3. Atomas Atomas Public

   Forked from yikunpku/Atomas

   ICLR 2025: We propose Atomas, a hierarchical molecular representation learning framework that jointly learns representations from SMILES strings and text. We design a Hierarchical Adaptive Alignmen…

   Python

4. PAAG PAAG Public

   Forked from chaohaoyuan/PAAG

   KDD 2025: Source code for Annotation-guided Protein Design with Multi-Level Domain Alignment.

   Python