Popular GitHub Repositories for Quantum Chemistry Programs

Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more

LangChain for Go, the easiest way to write LLM-based programs in Go

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

TensorFlowOnSpark brings TensorFlow programs to Apache Spark clusters.

List of AI Residency Programs

Here you can get all the Quantum Machine learning Basics, Algorithms ,Study Materials ,Projects and the descriptions of the projects around the web

PennyLane is a cross-platform Python library for quantum computing, quantum machine learning, and quantum chemistry. Train a quantum computer the same way as a neural network.

AICI: Prompts as (Wasm) Programs

Message Passing Neural Networks for Molecule Property Prediction

A deep learning package for many-body potential energy representation and molecular dynamics

A PyTorch-based framework for Quantum Classical Simulation, Quantum Machine Learning, Quantum Neural Networks, Parameterized Quantum Circuits with support for easy deployments on real quantum computers.

Some awesome AI related books and pdfs for learning and downloading, also apply some playground models for learning

Demo programs for the Talking Head Anime from a Single Image 2: More Expressive project.

Using artificial intelligence and genetic algorithms to automatically write programs. Tutorial: http://www.primaryobjects.com/cms/article149

LLM Agent that leverages cheminformatics tools to provide informed responses.

Demo Programs for the "Talking Head(?) Anime from a Single Image 3: Now the Body Too" Project

???LangChain for Rust, the easiest way to write LLM-based programs in Rust

SchNetPack - Deep Neural Networks for Atomistic Systems

Pythonic tool for orchestrating machine-learning/high performance/quantum-computing workflows in heterogeneous compute environments.

Python package for graph neural networks in chemistry and biology