PeptideDesignerAI
In the field of drug discovery, there has been a persistent challenge where designing initial testable drug candidates requires a significant amount of time.
Core trick
Serves precomputed AlphaFold and RFdiffusion binder structures from a cache so peptide candidates render without running simulations live.
Description
In the field of drug discovery, there has been a persistent challenge where designing initial testable drug candidates requires a significant amount of time. To address this, we aim to develop a workflow that integrates high-performance AI technologies, such as Gemini, to drastically shorten this process. While the workflow's feasibility has been confirmed, physical simulations using AlphaFold and RFdiffusion can take several hours to days, making it difficult to complete within the limited timeframe of the hackathon. Therefore, we utilized a pre-computed cache to visualize the binder peptides.
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