CHIKU PARIDA's Projects
Jupyter notebooks, jobscripts and other files for the "Getting started with AI on LUMI" workshop
Must-read papers on graph neural networks (GNN)
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
MatDGL is a neural network package that allows researchers to train custom models for crystal modeling tasks. It aims to accelerate the research and application of material science.
Graph deep learning library for materials
Matplotlib 3.0 Cookbook, published by Packt
Minima is a one-size-fits-all Jekyll theme for writers.
Multi-threading examples in Python
This add-on to pymatgen provides tools for analyzing diffusion in materials.
My implementation of the original GAT paper (Veličković et al.). I've additionally included the playground.py file for visualizing the Cora dataset, GAT embeddings, an attention mechanism, and entropy histograms. I've supported both Cora (transductive) and PPI (inductive) examples!
This repo holds material for the Udemy course "PyTorch Ultimate"
A web application to display the retrosynthetic reaction pathway using FLASK
SchNetPack - Deep Neural Networks for Atomistic Systems
Talk to your documents. Powered by Llama.
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
Extracting Scientific data from websites!