Rowan

This is a Python API for cloud-based molecular modeling and drug discovery workflows. It handles pKa prediction, conformer generation, molecular docking, protein-ligand cofolding, and related chemistry tasks without needing your own HPC infrastructure. The credit-based pricing is straightforward: CPU costs 1 credit per minute, GPU is 3, and typical jobs like descriptor calculation run under a minute while docking might take 5 to 20 minutes. It's built for programmatic batch screening and multi-step pipelines, so if you're running medicinal chemistry campaigns or need to dock dozens of analogues without managing clusters yourself, it's worth looking at. Free tier gives you 20 credits per week to test it out.