Repository Index

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

• drug-discovery
• quantum-chemistry
• deep-learning
• biology

PennyLane is an open-source quantum software platform for quantum computing, quantum machine learning, and quantum chemistry. Create meaningful quantum algorithms, from inspiration to implementation.

• quantum
• machine-learning
• deep-learning
• neural-network

Curated list of open-source quantum software projects.

• quantum-computing
• quantum-algorithms
• quantum-chemistry
• quantum-computer-simulator

A curated list of Python packages related to chemistry

• chemistry
• quantum-chemistry
• python-chemistry
• molecular-dynamics

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

• quantum-chemistry
• c-plus-plus
• python
• computational-chemistry

Parsers and algorithms for computational chemistry logfiles

• python
• computational-chemistry
• quantum-chemistry