Deep Learning for Quantum Chemistry Кузьма Храбров
Лекция приглашённого эксперта: «Deep Learning for Quantum Chemistry»
Докладчик: Кузьма Храбров — инженер-исследователь в Институте Искусственного Интеллекта AIRI
00:00:00 Заставка
00:00:09 Кузьма Храбров
00:00:37 Обзор задач вычислительной квантовой химии
00:06:52 Решение электронного уравнения Шрёдингера с помощью нейронных сетей
00:20:04 Представления молекул для машинного обучения
00:25:04 Ответы на вопросы
00:26:21 Решение электронного уравнения Шрёдингера с помощью нейронных сетей
00:53:29 Задача оптимизации молекулярной геометрии
01:04:01 Задача молекулярного докинга
01:13:45 Ответы на вопросы
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