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Scientific tools

Check which analysis tools can run and what setup they need.

Open Customize → Tools to inspect the scientific tools offered for your device and connected accounts. The panel separates local tools from connected services.

Browse the complete catalog

The scientific tool catalog lists every entry with its purpose, source documentation, and how to use it in this version. It distinguishes supported local setup, connected science tools, reference-only software, and unavailable entries.

For everyday file operations, search, Python, R, and jobs, use the built-in tools guide. For reusable procedures, use the dedicated Skills directory.

Understand availability

StatusWhat to do
ReadyStart with a small, known input.
ConnectedConfirm the account and any service charges before use.
Not installedInstall the packaged local environment; the local tools share it.
Setup neededConnect the service the tool runs on: an NVIDIA key in Credentials, or Modal in Compute.
Hosted onlyThis device has no packaged local environment for the tool. It runs on Modal once Compute is connected.
Needs attentionOpen the reported problem and resolve it before retrying.
UnavailableUse another supported tool or resolve the missing prerequisite.

Availability can differ across machines, operating systems, and accounts. An experimental tool should be checked on a small case with an expected result before larger work.

Local scientific workflows

Supported setup paths include common numerical, plotting, machine-learning, sequence-analysis, and cheminformatics tools such as SciPy, Matplotlib, scikit-learn, Biopython, and RDKit.

The packaged local environment is released for Apple silicon Macs and for Linux on x64 and arm64. On Windows and on Intel Macs the same tools are listed under Connected science as Hosted only and run on Modal instead. A package installed into the project's own Python environment is separate from the packaged tool runtime and does not change the row.

Check whether RDKit is ready. If it is, calculate molecular weights for
the SMILES in data/molecules.csv and save the results. Report invalid
structures separately instead of discarding them.

If setup is needed, review the proposed installation and confirm where the outputs will be saved.

Connected scientific services

Some structural-biology, sequence, and molecular-design workflows require your own service account or key. Use the connection shown for that tool and check its requirements.

A service connection does not imply unrestricted access, included compute, or a validated scientific prediction. Read the service's model and data terms when relevant to your work.

Skills, databases, and tools

CapabilityPurpose
SkillsInstructions and procedures for a workflow.
DatabasesSearch and retrieve scientific records.
Scientific toolsPerform analysis or prediction with configured software.
ConnectorsAdd tools and services through an external connection.

A package mentioned by a skill is not necessarily installed or available as a runnable tool. Ask OpenScience to check readiness before promising an output.

Verify results

Specify input formats, identifiers, units, and expected checks. Preserve failed inputs and warnings.

Ask for the tool version when available, parameters, output files, and limitations. For predictions, distinguish the model's output from experimental evidence.