Лекция 3. Rational design tools: Specialized libraries, Cheminformatics and Quantum Chemistry Software

  1. 00:19PyTorch library
  2. 05:21Avogadro Molecular Editor
  3. 21:14Jmol: Open-Source Molecular Visualizer
  4. 29:46Open Babel
  5. 41:21RDKit & Mordred
  6. 46:46Quantum-chemical methods
  7. 01:19:22Rendering and Compressing Molecular Movies