Best On-Premises Molecular Modeling Software

Nanome is a collaborative platform for molecular visualization and drug discovery. Teams load protein and small-molecule structures and review them together in 3D, in a web browser or in an XR headset (Meta Quest 3 and 3S, Apple Vision Pro, Samsung Galaxy XR). Everyone in a session sees the same structure at the same time, so a chemist in a headset and a colleague on a laptop can point at the same pocket from different cities. MARA, the AI copilot built into Nanome, runs docking, co-folding, electrostatics and ADMET estimates from plain-English requests, drawing on 300+ integrated scientific tools, and returns structures you can inspect in 3D. Nanome opens PDB, mmCIF, SDF, MOL2, PyMOL and Maestro files and connects to Schrodinger LiveDesign, OpenEye, Cresset Flare, CDD Vault, KNIME and Jupyter. Enterprise deployments run single-tenant or on-premises. Free web seat; 14-day full trial, no credit card.

With its comprehensive suite of integrated software, StarDrop™ delivers best-in-class in silico technologies within a highly visual and user-friendly interface. StarDrop™ enables a seamless flow from the latest data through predictive modeling to decision-making regarding the next round of synthesis and research, improving the speed, efficiency, and productivity of the discovery process. Successful compounds require a balance of many different properties. StarDrop™ guides you through this multi-parameter optimization challenge to target compounds with the best chance of success, saving you time and resources by enabling you to synthesize and test fewer compounds.