Fermi quantum chemistry program
Python library for reading, writing, and converting computational chemis...
Reinforcement Learning for Molecular Design Guided by Quantum Mechanics
OpenFermion plugin to interface with the electronic structure package Py...
Molecular Orbital PACkage
Differentiable Quantum Chemistry (only Differentiable Density Functional...
Python API for the extended tight binding program package
Δ-QML for medicinal chemistry
psi4+RDKit
A Schema for Quantum Chemistry
Quantum Mechanical Bespoke Force Field Derivation Toolkit
Python suite for optimization of stationary points on ground- and excite...
Automated Quantum Mechanical Environments (AQME) offers transparent and ...
Atoms In Molecules Neural Network Potential