Stars
Retrieve and Rerank for Automated ICD Coding via Contrastive Learning
Modified version of Alphafold to divide CPU part (MSA and template searching) and GPU part. This can accelerate Alphafold when predicting multiple structures
Elucidating the Design Space of Diffusion-Based Generative Models (EDM)
[ICLR'23] DiffuSeq: Sequence to Sequence Text Generation with Diffusion Models
List of computational protein design research labs
RNAFlow: RNA Structure & Sequence Design via Inverse Folding-Based Flow Matching
A list of positions (mostly biology-related) open to apply
List of papers about Proteins Design using Deep Learning
Coarse-grained Diffusion for Metal-Organic Framework Design
Comprehensive benchmarking of protein-ligand structure generation methods (ICML 2024 AI4Science)
Implementation for SE(3) diffusion model with application to protein backbone generation
Implementation of Alphafold 3 in Pytorch
Open source implementation of AlphaFold3
Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including virtual screening, target identification, and QSAR.
Protein Ligand INteraction Dataset and Evaluation Resource
Protein-ligand structure prediction
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Self-contained, minimalistic implementation of diffusion models with Pytorch.
deeplearning.ai（吴恩达老师的深度学习课程笔记及资源）
Source code for RNA-FrameFlow: SE(3) Flow Matching for 3D RNA Backbone Design
SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation
MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)
BioLiP2 database curation and web interface