SW-115770 - USA (Maryland) - Molecular Modeling Simulation Platform - Deadline July 1,2026

(1) Vendor needs to provide molecular modeling simulation platform. • MD simulation platform shall provide a comprehensive workflow, data management, and storage management, computing resource management capability. • Platform needs to enable parallel simulation of at least two MD simulation projects. • Platform and technical service providers shall have a proven track record on solving pharmaceutical and regulatory science challenges involving molecular dynamics and simulation.• Shall employ supervised machine learning (ML) for predicting molecular properties based on chemical structure.• The supervised learning platform shall be easy to implement by novice and experienced users. • Shall be a user–friendly machine learning tool for relating properties derived from molecular simulations to key experimental properties.• Shall offer a robust workflow for data management, storage, and computing resource management to streamline simulation projects.• Shall manage and stores large volumes of image and quantitative data efficiently.• Shall include a machine learning model for predicting the interactions between formulation components and biologics or small molecule active pharmaceutical ingredients• Shall employ an accurate and scalable machine learning force fields with broad molecular coverage to describe the interactions between atoms and predict relative energies• Shall have a validated, proven, stable and robust framework for the calculation of energies and forces for atomistic force field models