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
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