Summary

Rowan is a software platform utilized by over 8,000 scientists for molecular calculations, having run more than 2.0 million calculations. It combines physics-based modeling with machine learning to predict various molecular properties, including spin-state energetics, redox potentials, ligand docking, conformer searching, molecular orbitals, bond-dissociation energies, CNS penetrance, ADMET properties, pKa values, and permeability. The platform offers a workflow for predicting macroscopic pKa values, microstate populations, and logD values. Recent blog posts and updates cover topics such as permeability prediction, Rowan’s supported methods, an API for batch calculations, and improvements to the user interface including easier sign-on, layered security, and solvent-aware conformer searching.

Title

Rowan | ML-Powered Molecular Design and Simulation

Description

Rowan is a cloud-based computational chemistry platform for molecular property prediction, simulation, and protein–ligand complex modeling at the boundary of physics and machine learning.

Keywords

rowan, drug, more, discovery, design, science, platform, bond, read, blog, open, scientists, organic, small, catalysis, rowans, calculations

NS Lookup

A 45.55.105.8

Dates

Created 2025-11-11

Updated 2026-01-27

Summarized 2026-02-28