This repository contains all of the code found in the quantum computing tutorials at : https://quantumcomputinguk.org.

Machine Learning Foundations: Linear Algebra, Calculus, Statistics & Computer Science

😎 A curated list of awesome Molecular Dynamics libraries, tools and software.

Turn (almost) any Python command line program into a full GUI application with one line

Install Conda and friends on Google Colab, easily

Interactive molecule viewer for 2D structures

A curated list of the latest breakthroughs in AI by release date with a clear video explanation, link to a more in-depth article, and code

automated reaction profile generation

Determined is an open-source machine learning platform that simplifies distributed training, hyperparameter tuning, experiment tracking, and resource management. Works with PyTorch and TensorFlow.

C++ implemented Coordinate Descent Full Configuration Interaction (CDFCI) package for quantum chemistry calculation.

This repository contains all the required resources regarding the 100+ Days Of ML Code Telgram Group which was driven by me from 1-1-2019 to 31-12-2019 !!

Quantum Chemistry Teaching Labs and Exercises

Semiempirical Extended Tight-Binding Program Package

Scripts to install/deploy the MongoChem server/web client

Open source stochastic quantum chemistry

Quantum Package : a programming environment for wave function methods

psi4+RDKit

code for Data Science From Scratch book