π¨βπ I am a PhD student in Macao Polytechnic University. π Home Page
π Research Interests: Virtual Screening, Molecular Representation, Multi-Modal Learning and AI4Science.
π« How to reach me: wshshou@163.com
π¨βπ I am a PhD student in Macao Polytechnic University. π Home Page
π Research Interests: Virtual Screening, Molecular Representation, Multi-Modal Learning and AI4Science.
π« How to reach me: wshshou@163.com
PhenoModel: A multimodal phenotypic drug design foundation model for discovering novel potential inhibitors of multiple cancer cells
Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including virtual screening, target identification, and QSAR.
Collection of papers for Molecular Representation using AI
An official implementation of "Directed Chemical Evolution via Navigating Molecular Encoding Space.", which is a foundational model to bridge the gap between representation learning and generative β¦