babaid Goto Github PK

aa-sidechain-perturbation

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.

aaperturb

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.

alzheimer-classification

Using pytorch to classify different stages of Alzheimer

babaid

Config files for my GitHub profile.

combinatorial-optimization

Some combinatorial optimization algorithms on graphs written in Julia.

computational-physics

computationalmanybodyphysics

Implementation of some alogorithms and simulations in computational many body physics.

conways-game-of-life

An implementation of Conway's Game of Life in C++ using the graphics library SFML.

decision-tree-classifier

Just a quick implementation of a decision tree in julia for educational purpose.

gnn-tutorial

A series of short tutorials regarding graph neural networks for beginners or even advanced users.

integra

A numerical integration library written in modern C++.

ising-model-simulation

A project containing simulations of Ising Chains known from theoretical physics.

odes

A library for solving ordinary differential equations

openmmtutorial

Just a repo to store some simulations in openMM.

probindnn

My bachelors thesis on predicting relative protein-protein binding affinity changes upon point mutations using graph neural networks.

sc-gat

Structural Coordinate Based GAT

tensor-network-ising-chain-simulations

tgnn

Time Series Prediction Graph Neural Network