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1. ML_System_for_Photosensitizer_Design ML_System_for_Photosensitizer_Design Public

   Forked from jiali1025/ML_System_for_Photosensitizer_Design

   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

2. NIRII-ML-Design NIRII-ML-Design Public

   Prediction model used in the paper: Accelerated Design of Near-Infrared-II Molecular Fluorophores via First-Principle Understanding and Machine Learning.

   Python 2