← Home • Tools • GitHub

Quickstart

This guide shows two happy paths: analysis-only (table → viz) and calculator mode (SMILES → table) when MolProp Toolkit is installed. Both workflows produce a run folder that you can zip and share.

1) Install

git clone https://github.com/kelokely/molprop-platform.git
cd molprop-platform

pip install -e ".[dev,web,viz]"

Use this if you already have a MolProp results table and want dashboards and GUI workflows.

# installs MolProp Toolkit from GitHub (until core is on PyPI)
pip install -e ".[core]"

Use this to enable calculator mode in the web app (molprop-calc-v5 available).

2) Start the web app

molscope-server

In the UI, choose Generate (SMILES → table) or Analyze (table → artifacts), then download the zip bundle.

3) CLI example: visualization

If you prefer CLI workflows, you can generate a Plotly dashboard directly.

molscope-visualize path/to/results.parquet -o viz --method umap

Open viz/projection_umap.html in a browser.