FAIR Chemistry's library of machine learning methods for chemistry
A curated list of Python packages related to chemistry
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
#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
Files used in TMP Chem videos on computational chemistry
C++ Programming Tutorial in Chemistry
Benchmarks for generative chemistry
CH485 - Artificial Intelligence and Chemistry
Δ-QML for medicinal chemistry
NWChem: Open Source High-Performance Computational Chemistry
Quantum Chemistry speed test
Physical Chemistry for Chemical Engineers