The Facility Manager has an office with custom-built furniture designed to facilitate interactions with investigators, allowing several people to view high-resolution monitors for visualizing protein structures. A conference room also equipped with a large flat-screen monitor is situated nearby if space for a larger group is needed.
The facility has recently acquired a powerful Dell Alienware Aurora R15 workstation equipped with a 13th Generation Intel® Core™ i9 13900KF (24-Core, 68MB Cache, 3.0GHz to 5.8GHz P-Core Thermal Velocity), 64GB DDR5 4800MHz RAM, and a high-powered video card (NVIDIA® GeForce RTX™ 4090, 24GB GDDR6X). The machine has sufficient GPU performance to run AlphaFold2 and AlphaFold-Multimer calculations on large proteins and protein complexes.
In addition to custom AlphaFold2 implementations, Protein Design software (RFDiffusion and ProteinMPNN) as well as the Rosetta Molecular Modeling Suite are installed and available for specialized tasks in structure modeling.
The Facility has access to a newly acquired Fox Chase high performance cluster with multiple A100 GPUs (80 Gbytes each) and the Temple University Owl’s Nest cluster with 2,164 processors. These additional computing resources enable the MMF to undertake production run MD simulations for projects that require these capabilities.