Build on the research
Explore software and datasets from our publications, alongside courses and research tutorials. Find the original code, understand the inputs and follow an example.
Implementations and demonstrations for molecular interactions and multimodal learning.
Protein–ligand affinity prediction
Electron-density point clouds and molecular graphs for protein–ligand affinity prediction, with model code, pretrained weights and example complexes.
Nat. Commun., 17(1), 7424 (2026)
Overview & getting started · E-CloudBindDeveloped by the E-CloudBind authors. Code and examples are maintained in the original project repository.
Gaussian head avatars
Head-avatar reconstruction under uncalibrated camera settings, connecting camera initialization, mesh tracking and Gaussian rendering.
A collaborative project. See the original repository for contributors, usage instructions and terms.
Audio-driven animation
A framework for synchronized body, facial and lip animation driven by audio, with preprocessing, training and inference instructions.
A collaborative project. Code and demonstrations are hosted by the original project team.
Molecular records and supporting research data, with context for interpreting and reusing them.
Molecular data & discovery code
DA and DAD photosensitizer records with quantum-chemical energy labels, molecular building blocks, and code for molecular-space construction and active learning.
Overview & getting started · Photosensitizer Dataset & Active-Learning ResourcesCode and data by Jiali Li and Pengfei Cai, accompanying the study by Shidang Xu and coauthors.