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DTI prediction method
Calculation of interatomic interactions in molecular structures
This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representation of Ligands and 3D Structure of Protein Binding Sites"
BridgeDPI: A Novel Graph Neural Network for Predicting Drug-Protein Interaction
Python package for graph neural networks in chemistry and biology
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Repository of past presentations on DPI, made during weekly update meetings.
Predicting Drug Protein Interaction using Quasi-Visual Question Answering System
PyTorch Implementation of "Resource Efficient 3D Convolutional Neural Networks", codes and pretrained models.
Fusion models for Atomic and molecular STructures (FAST)
Hierarchical Graph Pooling with Structure Learning
OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.
PIGNet source code
Probabilistic PCA which is applicable also on data with missing values. Missing value estimation is typically better than NIPALS but also slower to compute and uses more memory. A port to Python of the implementation by Jakob Verbeek.
A Pytorch deep learning singularity container
A scoring function model based on 3D convolutional neural network for protein-ligand binding affinity prediction.
ShuffleNet in PyTorch. Based on https://arxiv.org/abs/1707.01083
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.