BoFire
Computing Applications (HPC) Apache-2.0 (Free)
About
A Bayesian optimization framework designed for experimental design in chemistry and materials science. It optimizes black-box functions with mixed features, constraints, and multi-objective targets, supporting design of experiments (DoE) workflows.
Key Features
- Optimization: Bayesian, multi-objective
- Constraints: linear, nonlinear, discrete
- DoE: Latin hypercube, Sobol sequences
- Integration: BoTorch, GPyTorch backend
Citation
BASF Digital Solutions GmbH. BoFire: Bayesian Optimization Framework for Industrial Research and Engineering. https://github.com/experimental-design/bofire
Frequently Asked Questions
What is BoFire?
BoFire is a computing applications (hpc) application available in the Paramus App Store. A Bayesian optimization framework designed for experimental design in chemistry and materials science. It optimizes black-box functions with mixed features, constraints, and multi-objective targets, supporting design of experiments (DoE) workflows.
Is BoFire free to use?
Yes. BoFire is distributed under the Apache-2.0 (Free) license and is available at no cost through the Paramus App Store.
How do I install BoFire?
BoFire is installed through Paramus Chemistry OS, an on-premise Windows platform for computational chemistry. Open the Paramus App Store in your local installation and select BoFire for one-click deployment.
What are the key features of BoFire?
Key features of BoFire include: Optimization: Bayesian, multi-objective; Constraints: linear, nonlinear, discrete; DoE: Latin hypercube, Sobol sequences; Integration: BoTorch, GPyTorch backend.
What type of application is BoFire?
BoFire belongs to the “Computing Applications (HPC)” category in the Paramus App Store. It runs on Paramus Chemistry OS and can also be accessed through Paramus Cloud for supported workflows.
What platform does BoFire run on?
BoFire runs on Paramus Chemistry OS, a Windows-based on-premise platform that provides local compute power for demanding simulations. It requires a Paramus OS installation with appropriate hardware resources.
Can BoFire be automated or integrated with AI workflows?
Yes. BoFire is available as part of the Paramus ecosystem which supports MCP (Model Context Protocol) tools for AI-driven automation. This enables integration with large language models and automated research pipelines.
How should I cite BoFire in publications?
The recommended citation for BoFire is: BASF Digital Solutions GmbH. BoFire: Bayesian Optimization Framework for Industrial Research and Engineering. https://github.com/experimental-design/bofire