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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. PCFM PCFM Public

   Physics-Constrained Flow Matching: Sampling Generative Models with Hard Constraints (NeurIPS 2025)

   Python 25