Code Ocean User Guide

v2.14.0

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Welcome to Code Ocean
How to create a capsule in 5 minutes
Compute Capsule Guide
Adding VSCode Extensions to your Code Ocean Capsule Environment
Archive Capsule/Dataset
Sharing Compute Capsules
Release Capsules
- Creating and Using Release Capsules
- Internal Releases
Secret Management Guide
Code Ocean Apps
App Panel Guide
- Builder Guide
  App Builder Tutorial
  1. Prepare a New Capsule with Sample Files
  2. Create a user interface in the App Builder
  3. Release The capsule with App panel (optional)
  App Builder User Interface
  Release App Panel Capsule
- Run Guide
Data Assets Guide
Git Provider Integration Guide
Pipeline Guide
Publishing from Code Ocean Private Cloud to Public Code Ocean
Code Ocean API
FAQ
How To
Support & Troubleshooting

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Cheminformatics

PreviousGenomics NextVisualization

Last updated 6 months ago

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Description

Input Data

Img2Mol

This capsule uses Img2Mol to predict the compound structure for input chemical images. It will output a structure data file and SMILES representation for each input image.

.jpg or .png images of chemical compounds

DECIMER 2.0

This capsule uses DECIMER (Deep Earning for Chemical ImagE Recognition) 2.0 to predict the SMILES (simplified molecular input line entry system) for input chemical images.

.jpg or .png images of chemical compounds