DownloadsDownloadWelcome CaMML School Training MaterialThe CaMML School CollectiveCaMML School training materialIntroductionIntroduction to Work EnvironmentDay 1Tutorial on Basics of Machine Learning in Computational Molecular ScienceDay 2BOFire Reaction Optimisation TutorialVisualizing BO for a synthetic exampleVisualizationDay 3MLP From Scratch (NumPy Only) - Teaching VersionConvolutional Neural NetworksConvolutional FilterNeural NetworksConvolutional Graph NetworksDay 4MACE in Practice IMACE in Practice IINudged Elastic BandNudge elastic bands with MLIPS for moleculesDay 5Diffusion Fundamentals: DDPM, Score-Based Models, NCSN, and DDIMMatterGen-light, taught step by stepCrystal Generation SOTA Comparison: MatterGen first, Chemeleon-DNG second