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Python code for fine-tuning AlphaFold to perform protein-peptide binding predictions
3D equivariant neural networks for all-atom refinement of protein tertiary structures
Code for paper "ATSE: a peptide toxicity predictor by exploiting structural and evolutionary information based on graph neural network and attention mechanism"
Code and Pre-Trained Models for "AttnPacker: An end-to-end deep learning method for protein side-chain packing"
De novo design of small molecule binding sites into proteins
Prediction of binding residues for metal ions, nucleic acids, and small molecules.
Loan Evaluation
Geometric super-resolution for molecular geometries
Collection of data science projects in Python
[ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation
A denoising diffusion probabilistic model (DDPM) tailored for conditional generation of protein distograms
A geometric deep learning method for refining and assessing protein complex structures.
DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)
A library for graph deep learning research
DLPacker
DRUIDom (DRUg Interacting Domains): a computational method for predicting new drug/compound - target protein interactions for drug discovery and repurposing, via mapping ligands to structural domains
[NeurIPS 2022] The implementation for the paper "Equivariant Graph Hierarchy-Based Neural Networks".
Official code repository for EquiFold
E(3) equivariant graph neural network for PPI site prediction
Generate and predict molecular electron densities with Euclidean Neural Networks
Optimizing AlphaFold Training and Inference on GPU Clusters
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.