Han Wang

This paper introduces RCDO, a closed-loop reinforcement learning framework that accelerates compound optimization by integrating experimental feedback with generative models, achieving significant improvements in drug candidate properties.

The paper introduces SE3CSP, an SE(3)-equivariant deep-learning framework for crystal structure prediction of nucleosides, achieving 57% accuracy and enabling the discovery of bioactive self-assembling materials.

This paper introduces a two-stage method to evaluate 3D molecule conformations generated by AI, achieving high speed and quantum mechanical accuracy.