Support

Contact us

Sent an email to Pavlo Dral: dral@xmu.edu.cn

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

Workshops

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