在一副纸牌中有4张KING，如果随机地将这些纸牌分为两组，求4张King在两组纸牌中分布的概率

Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces

psi4+RDKit

This is a repository for the code posted on my blog

QuteMol is a real time, high quality molecular visualizer that offers an array of innovative visual effects. QuteMol aims at improving the clarity of rendered images and at offering a better unders…

The fundamental package for scientific computing with Python.

Python module for quantum chemistry

Parsers and algorithms for computational chemistry logfiles

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

The leading native Python SSHv2 protocol library.