workflows_examples

This document provides practical workflows and usage examples for common DiffDock tasks.

Skills
Scientific
2

What it does and how to use it

A skill that teaches Claude Code to do scientific tasks well. It is packaged knowledge the model uses whenever it is relevant.

Install the skill (command above).
In Claude Code, describe what you need - the skill turns on by itself when the context fits.
No commands to memorize: you talk in plain language and the skill does the rest.

Install (Claude Code)

mkdir -p .claude/skills/workflows-examples && curl -fsSL https://doutorai.pt/data/lib/skills__workflows-examples.md -o .claude/skills/workflows-examples/SKILL.md

Paste this command into the terminal, in your project folder, and the component installs automatically.

Content

# DiffDock Workflows and Examples

This document provides practical workflows and usage examples for common DiffDock tasks.

## Installation and Setup

### Conda Installation (Recommended)

```bash
# Clone repository
git clone https://github.com/gcorso/DiffDock.git
cd DiffDock

# Create conda environment
conda env create --file environment.yml
conda activate diffdock
```

### Docker Installation

```bash
# Pull Docker image
docker pull rbgcsail/diffdock

# Run container with GPU support
docker run -it --gpus all --entrypoint /bin/bash rbgcsail/diffdock

# Inside container, activate environment

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