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1. deepmodeling/Uni-Mol deepmodeling/Uni-Mol Public

   Official Repository for the Uni-Mol Series Methods

   Python 959 152

2. EDAPINENUT/CBGBench EDAPINENUT/CBGBench Public

   Official code repository of < CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph >

   Python 309 37

3. MolReasoner MolReasoner Public

   This is the official code for MolReasoner: Toward Effective and Interpretable Reasoning for Molecular LLMs

   Python 42 2

4. OCNet OCNet Public

   [npj Computational Materials] This is the official code for the paper “Virtual Characterization via Knowledge-Enhanced Representation Learning: from Organic Conjugated Molecules to Devices”

   Python 6

5. Laser_Geo2Seq_VAE Laser_Geo2Seq_VAE Public

   Python 3

6. TsinghuaC3I/Awesome-RL-for-LRMs TsinghuaC3I/Awesome-RL-for-LRMs Public

   A Survey of Reinforcement Learning for Large Reasoning Models

   1.9k 107