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Bowen Gao's Projects

bowen-gao.github.io icon bowen-gao.github.io

Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes

diffsbdd icon diffsbdd

A Euclidean diffusion model for structure-based drug design.

drugclip icon drugclip

[NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening

ligan icon ligan

Deep generative models of 3D grids for structure-based drug discovery

limo icon limo

generative model for drug discovery

mat2vec icon mat2vec

Supplementary Materials for Tshitoyan et al. "Unsupervised word embeddings capture latent knowledge from materials science literature", Nature (2019).

plato icon plato

A new scalable federated learning research framework

profsa icon profsa

[ICLR 2024] ProFSA: Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment

siu icon siu

SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction

transformers icon transformers

🤗 Transformers: State-of-the-art Natural Language Processing for TensorFlow 2.0 and PyTorch.

uni-mol icon uni-mol

A Universal 3D Molecular Representation Learning Framework

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