Полынский М.В. - Towards Artificial Intelligence in Chemistry via the Rational Design - Lecture 3

Rational design tools: Specialized libraries, Cheminformatics and Quantum Chemistry Software 00:00:20 PyTorch library 00:05:21 Avogadro Molecular Editor 00:21:14 Jmol: Open-Source Molecular Visualizer 00:29:46 Open Babel 00:41:21 RDKit & Mordred 00:46:46 Quantum-chemical methods 01:19:22 Rendering and Compressing Molecular Movies Ссылка на плейлист: