Published September 11, 2019
| Version v1
Presentation
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Artificial Intelligence (AI) Solutions for Computational & Organic Chemistry
Description
Olexandr Isayev talks about using neural networks to create fast and accurate molecular potentials trained on high-level QM data. The resulting ANI model (ANAKIN-ME: Accurate NeurAl networK engINefor Molecular Energies) seems to be very promising.
The uploaded material contains presentation slides and video.
Files
09-OIsayev-ANI.mp4
Files
(129.8 MB)
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md5:8e2741561ab303b5b8c58ee616f5cde7
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120.3 MB | Preview Download |
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md5:82df0d7922d6d5f591a46f4c79cb7667
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9.5 MB | Preview Download |
Additional details
Related works
- Has part
- https://youtu.be/QvYL4MaSMCo (URL)
- Is supplemented by
- http://olexandrisayev.com/ (URL)