#计算机科学#Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
翻译 - 在药物发现，量子化学，材料科学和生物学方面普及深度学习
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.
Quantum circuits for simulations of quantum chemistry and materials.
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
翻译 - 开源量子化学–由Python驱动的C ++电子结构包
SchNet - a deep learning architecture for quantum chemistry
Quantum Chemistry speed test
Deep learning for molecules quantum chemistry properties prediction
Open source implementation of "Neural Message Passing for Quantum Chemistry"
Periodic table, physical constants, and molecule parsing for quantum chemistry.
Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions
Lanczos Network, Graph Neural Networks, Deep Graph Convolutional Networks, Deep Learning on Graph Structured Data, QM8 Quantum Chemistry Benchmark, ICLR 2019
翻译 - Lanczos网络，图神经网络，深图卷积网络，图结构数据的深度学习，QM8量子化学基准测试，ICLR 2019
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
