Sent an email to Pavlo Dral: email@example.com
or better join our Slack workspace.
Social media pages
Follow the social media pages of related community accounts for updates:
- Facebook: Machine learning in chemistry group.
- Twitter: Machine learning for quantum chemistry.
- MLatom also has WeChat official account
Tutorials & Manuals
Check our manual and tutorials:
- best to get started with ML and MLatom: tutorial for CECAM school MLQCDyn
- very short introduction to get started with MLatom: introduction to MLatom@XACS cloud computing
- step-by-step tutorial for MLatom@XACS cloud computing
- using AIQM1
- accurate and fast calculation of enthalpies of formation with uncertainty estimates
- benchmarking machine learning potentials
- simulating absorption spectra with ML-nuclear ensemble approach
- examples to get started in using ML for quantum chemistry from Chapter 11 Quantum Chemistry Assisted by Machine Learning in Advances in Quantum Chemistry: Chemical Physics and Quantum Chemistry, Volume 81
- using MLatom GUI
Attend our upcoming workshops or check out available materials for the past workshops:
- 2022-09-05 to 2022-09-09: CECAM school MLQCDyn (tutorial)
- 2022-04-22 to 2022-04-24: The First XACS Workshop