Use PocketFlow
Official Neurosnap webserver for accessing PocketFlow online.
Overview
PocketFlow generates ligands for target protein binding pockets. PocketFlow considers chemical knowledge from the CrossedDock and ZINC 3D datasets during the molecular generation process.
Neurosnap Overview
The PocketFlow online webserver allows anybody with a Neurosnap account to run and access PocketFlow, no downloads required. Information submitted through this webserver is kept confidential and never sold to third parties as detailed by our strong terms of service and privacy policy.
View PaperFeatures
- PocketFlow can generate hundreds of small molecules in minutes.
- Requires only a target protein binding pocket in PDB file format.
- Returns ligands in SMI and SDF file format along with relevant metrics and graphs.
Statistics
Neurosnap periodically calculates runtime statistics based on job execution data. These estimates provide a general guideline for how long your job may take, but actual runtimes can vary significantly depending on factors like input size or settings used.
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API Request
Access PocketFlow using the Neurosnap API by sending a request using any programming language with HTTP support. To safely generate an API key, visit the API tab of your overview page.
Job Note
Provide a name or description for your job to help you organize and track its results. This input is solely for organizational purposes and does not impact the outcome of the job.
Configuration & Options
Ready to submit your job?
Once you're done just hit the submit button below and let us do the rest.
To submit a job please login or register an account.