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yansonggu's Projects

design_patterns icon design_patterns

Simple design pattern implementations, to be done simultaneously with a series of blog posts.

designpatterns icon designpatterns

:key:Elements of Reusable Object-Oriented Software:unlock:is a software engineering book describing software design patterns. The book's authors are Erich Gamma, Richard Helm, Ralph Johnson and John Vlissides with a foreword by Grady Booch.

detox icon detox

Gray box end-to-end testing and automation framework for mobile apps

dexer icon dexer

This is a simple file indexing API server which gives a utility to search through files in a selected directory.

dgl icon dgl

Python package built to ease deep learning on graph, on top of existing DL frameworks.

diagrams icon diagrams

:art: Diagram as Code for prototyping cloud system architectures

diffdock icon diffdock

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

difflinker icon difflinker

DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design

diffsbdd icon diffsbdd

A Euclidean diffusion model for structure-based drug design.

diffusers icon diffusers

🤗 Diffusers: State-of-the-art diffusion models for image and audio generation in PyTorch

diffusion_models icon diffusion_models

A series of tutorial notebooks on denoising diffusion probabilistic models in PyTorch

diffusionfastforward icon diffusionfastforward

DiffusionFastForward: a free course and experimental framework for diffusion-based generative models

dig icon dig

A library for graph deep learning research

dimenet icon dimenet

DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules" (NeurIPS-W 2020)

dimenet-dgl icon dimenet-dgl

A DGL implementation of "Directional Message Passing for Molecular Graphs" (ICLR 2020).

dlpack icon dlpack

common in-memory tensor structure

dock-md-fep icon dock-md-fep

Open Source, Automated free binding free energy calculation between protein and small molecule. An all-in-one workflow, free energy pertubation with OpenMM.

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