Results for “predictions”

Use for writing, reviewing, debugging, testing, or diagnosing Bayesian regression and hierarchical models built with Bambi formulas, Model, Family/Likelihood/Link, Prior, fit, prior predictive, and predict. Trigger on common versus group-specific terms, categorical coding, family/link choice, automatic prior scaling, missing rows, PyMC backend settings, and InferenceData predictions. Do not use for hand-built PyMC graphs, NumPyro programs, ArviZ-only analysis of existing draws, frequentist statsmodels formulas, or generic pandas work.

Drives the Rowan cloud quantum-chemistry platform via its Python API for computational chemistry — pKa prediction, geometry optimization, conformer searching, molecular property calculations, protein-ligand docking (AutoDock Vina), and AI protein cofolding (Chai-1, Boltz-1/2), with cloud compute and no local setup. Use when running DFT or semiempirical methods, neural network potentials (AIMNet2), molecular property or protein-ligand binding predictions, or automated computational chemistry pipelines. Part of the AlterLab Academic Skills suite.