Quick Start

This guide will walk you through your first steps with DeepChem Server, from uploading a dataset to performing molecular featurization.

Before You Begin

Make sure you have:

1. DeepChem Server running (see Installation)

2. A sample dataset (CSV file with SMILES strings)

Basic Workflow

The typical workflow with DeepChem Server involves:

1. Upload Data: Submit your molecular dataset

2. Featurize: Transform molecules into feature vectors

3. Retrieve Results: Download the featurized dataset

Interactive API Documentation

Once your DeepChem Server is running, the best way to explore and test the API is through the interactive documentation:

Swagger UI: http://localhost:8000/docs

This provides:

• Complete endpoint documentation

• Interactive request testing

• Response examples

• Parameter descriptions

• Schema definitions

Available Endpoints

The main endpoints you’ll work with are:

• POST /data/uploaddata: Upload datasets

• POST /primitive/featurize: Apply molecular featurization

• GET /healthcheck: Check server status

Available Featurizers

DeepChem Server supports the following molecular featurizers:

Featurizer	DeepChem Class	Description
ecfp	CircularFingerprint	Extended Connectivity Fingerprints (Morgan/ECFP)
graphconv	ConvMolFeaturizer	Graph convolution molecular featurizer
weave	WeaveFeaturizer	Weave molecular featurizer for graph networks
molgraphconv	MolGraphConvFeaturizer	Molecular graph convolution featurizer

For detailed information about these featurizers, including parameters and usage examples, refer to the DeepChem Featurizers documentation.

For parameter information and interactive testing, visit http://localhost:8000/docs

Next Steps

Now that you understand the basic workflow:

1. Visit the Interactive Docs: Go to http://localhost:8000/docs to test endpoints

2. Try Different Featurizers: Experiment with various molecular representations

3. Use the Python Client: Explore the py-ds library for programmatic access

4. Consult DeepChem Documentation: For detailed featurizer information, see the DeepChem Featurizers documentation

Troubleshooting Quick Start

Server Not Responding

Check if the server is running: curl http://localhost:8000/healthcheck

Need More Information

Visit http://localhost:8000/docs for comprehensive API documentation and interactive testing.