babaid Goto Github PK
Name: Dezsö Babai
Type: User
Company: Technical University Munich
Bio: Biophysics MSc. at TUM, Simulations, MD, GNN. Feel free to contact me on LinkedIn!
Location: Munich
Name: Dezsö Babai
Type: User
Company: Technical University Munich
Bio: Biophysics MSc. at TUM, Simulations, MD, GNN. Feel free to contact me on LinkedIn!
Location: Munich
This is a proof of concept python project, where the aim is to perturb sidechains of amino acids by rotating them around predefined axes. This can be of use for GNNs.
A C++ library for the creation of a large dataset of amino acid sidechain perturbations, own PDB Parser code included and some other things related.
Using pytorch to classify different stages of Alzheimer
Config files for my GitHub profile.
This repo is the julia implementation of the results of the paper titled "Balanced amplification: a new mechanism of selective amplification of neural activity patterns" written by Murphy and Miller.
Some combinatorial optimization algorithms on graphs written in Julia.
An implementation of Conway's Game of Life in C++ using the graphics library SFML.
A project combining a generative drug discovery model with molecular dynamics simulations.
Just a quick implementation of a decision tree in julia for educational purpose.
Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)
A numerical integration library written in modern C++.
A project containing simulations of Ising Chains known from theoretical physics.
An updated version with some fixes
A library for solving ordinary differential equations
OpenMM is a toolkit for molecular simulation using high performance GPU code.
My bachelors thesis on predicting relative protein-protein binding affinity changes upon point mutations using graph neural networks.
Structural Coordinate Based GAT
Time Series Prediction Graph Neural Network
A small training project on predicting the toxicity of various drugs using GNNs.
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.