Cli Anything Unimol Tools

A focused CLI wrapper around Uni-Mol Tools for training molecular property prediction models. You get five task types (binary classification, regression, multiclass, and multilabel variants), project management to organize experiments, and automatic model tracking with performance rankings. The storage analyzer and cleanup commands are practical touches for managing disk space when you're iterating on models. Ships with JSON mode for scripting and an interactive REPL with tab completion. If you're working with SMILES data and need to predict molecular properties without writing training boilerplate, this gives you a structured workflow. The 67 unit tests and example datasets suggest it's reasonably mature for experimental work.