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1. chemprop/chemprop chemprop/chemprop Public

   Message Passing Neural Networks for Molecule Property Prediction

   Python 1.9k 611

2. Automatic_Strain_Sensor_Design Automatic_Strain_Sensor_Design Public

   Python 7 5

3. Wearable-MXene-Sensors-with-In-Sensor-Machine-Learning-for-Full-Body-Avatar-Reconstruction Wearable-MXene-Sensors-with-In-Sensor-Machine-Learning-for-Full-Body-Avatar-Reconstruction Public

   Python 6 1

4. Chiral-molecule-detection Chiral-molecule-detection Public

   Python 4 2

5. ML_System_for_Photosensitizer_Design ML_System_for_Photosensitizer_Design Public

   This is the code and data by Jiali Li and Pengfei Cai for the paper "Self-Improving Photosensitizer Discovery System via Bayesian Search with First-Principle Simulations"

   Python 5 3

6. Intelligent-topological-engineering-of-quantum-p-magnets Intelligent-topological-engineering-of-quantum-p-magnets Public

   Python 1 1