Xie, Huanzhang

PocketFlow: an autoregressive flow model incorporated with chemical knowledge for generating drug-like molecules inside protein pockets

Yang, S., Jiang, Y., Zhang, G., You, J., Zhang, H., Yao, R., Xie, H., Xia, Z., Dai, M., & Wu, Y. (2023) · Nature Machine Intelligence

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 97

PocketFlow is a data-and-knowledge-driven structure-based molecular generative model

Jiang, Y., Zhang, G., You, J., Zhang, H., Yao, R., Xie, H., Zhang, L., Xia, Z., Dai, M., Wu, Y., et al. (2024) · Nature Machine Intelligence

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 97