Category: Benchmarking Studies
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Fovus Delivers OpenMM Molecular Dynamics Simulations for as Low as $6.59/µs, as fast as 3359 ns/day
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OpenMM is a high-performance toolkit for molecular simulations that is widely used in research domains such as computational chemistry, structural biology, and drug discovery. Known for its flexibility, GPU acceleration, and Python interface, OpenMM makes it easy to prototype new simulation methods or run standard molecular dynamics (MD) simulations at scale. However, despite its strengths,…
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Unlocking Large-Scale Vina GPU Docking with Fovus: Starting from $0.95 per 10,000 Ligand Screening
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Vina GPU is an advanced molecular docking software that leverages GPU acceleration to increase the speed and efficiency of virtual screening workflows significantly. Built upon the popular AutoDock Vina framework, Vina GPU accelerates the docking process by running tasks on massively parallel GPU architectures, making it possible to screen millions (or even billions) of ligands…
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Optimizing MegaDock with Fovus: $3.09 per 1,000 Antibody-Antigen Docking
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MegaDock Overview MegaDock 4.0 is a high-throughput protein-protein docking software designed for large-scale virtual screening applications. It employs a fast Fourier transform (FFT)–based docking method that allows it to leverage GPU acceleration, setting it apart from traditional CPU-based docking tools. This GPU utilization makes MegaDock well-suited for massive protein-protein docking workloads with its large-scale docking…
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Breakthrough in Cloud HPC Cost Efficiency: Boltz-1 Simulations for 10 Cents with Fovus
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Biotech and pharmaceutical research increasingly relies on high-performance computing (HPC) to power structure prediction, molecular modeling, and simulation workflows. However, the cost, scalability, and complexity of deploying large-batch workloads of models like Boltz-1 remain key obstacles. Fovus is an AI-powered, serverless HPC platform that makes it easy to run Boltz-1 simulations with high performance, low…
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Case Study: Intelligently Running AlphaFold 3 on Fovus with an AI-Optimized HPC Strategy, Saving up to 67% Cost and 45% Time
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AlphaFold 3 is a powerful AI-driven protein structure prediction tool developed by DeepMind. Building upon the success of its predecessors, AlphaFold 3 extends beyond protein folding and incorporates broader molecular modeling capabilities. It is widely used in computational biology to predict protein-protein interactions, drug discovery, and large-scale proteomics research. AlphaFold 3 is particularly valuable in…
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Run Molecular Dynamics Simulations in the Cloud as Fast as 1139 ns/day, as Cost-effective as $29/μs: Benchmarking GROMACS on Fovus
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GROMACS has revolutionized molecular dynamics (MD) simulations by empowering researchers to simulate molecular interactions across biology, chemistry, and materials science, driving advancements in protein folding, drug discovery, material design, and nanotechnology. However, running GROMACS on cloud GPUs presents significant scalability and cost challenges. GPUs are among the most in-demand resources in the cloud, making them difficult…