This repository is all you need to understand how to build Gen AI products or AI agents

Building Agentic AI Systems, published by Packt

The Agentic SDLC Handbook — dual-audience guide for C-suite and practitioners

A straightforward method for training your LLM, from downloading data to generating text.

Implement a ChatGPT-like LLM in PyTorch from scratch, step by step

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

Turns your phone or VR headset into a robot arm teleoperation device by leveraging WebXR

Arduino library for Robot Arm control, positioning in 3D space

Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards a wide range of property c…

Publication-quality molecular graphics.

Chemical intuition for surface science in a package.

URL links to phonondb data

A parallel framework for deep learning

Fortran Functions for File Manipulation

This script calculates the effective coordination number for almost any atomic structure file type.

Toolkit for reciprocal space of crystal lattice

Python script for plotting Fermi surfaces in .bxsf format.

Dot2 product with error free transformation (EFT) in Fortran 90

Tensor Toolbox for Modern Fortran

A fully featured ASE calculator for xTB

Slides, exercises and resources for the 2023-2024 course "High Performance Computing" under the "Scientific and Data-Intensive Computing" Naster Program at University of Trieste

General Purpose Fortran Cooperative

A python tool for Classification of ligand conformations based on Torsion angles

this is official implement of Tora3D

A wrapper to run xtb inside Gaussian.

Graph Machine Learning, published by Packt