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mypy: fix missing imports from rdkit allchem

Status: Open.

#592 In OpenFreeEnergy/gufe;

· atravitz opened on Jul 22, 2025

apply pyupgrade linting

Status: Open.

#588 In OpenFreeEnergy/gufe;

· atravitz opened on Jul 18, 2025

migrate away from v1 pydantic imports

Status: Open.

#585 In OpenFreeEnergy/gufe;

· atravitz opened on Jul 15, 2025

<code>ProtocolUnit</code>s list missing units in <code>Protocol._create</code> is ok?

Status: Open.

#583 In OpenFreeEnergy/gufe;

· ijpulidos opened on Jul 8, 2025

Add how-to doc for creating a new AtomMapper

Status: Open.

#582 In OpenFreeEnergy/gufe;

· atravitz opened on Jul 2, 2025

Add how-to doc for defining a new AtomMapping

Status: Open.

#581 In OpenFreeEnergy/gufe;

· atravitz opened on Jul 2, 2025

Add how-to doc for defining a new ComponentMapping

Status: Open.

#580 In OpenFreeEnergy/gufe;

· atravitz opened on Jul 2, 2025

How to handle logging in a protocol

Status: Open.

#579 In OpenFreeEnergy/gufe;

· jthorton opened on Jul 2, 2025

Add <code>merge</code> method for ProteinComponent

Status: Open.

#568 In OpenFreeEnergy/gufe;

· IAlibay opened on Jun 17, 2025

ChemicalSystem "isin" method to check if a Component belongs to a ChemicalSystem

good first issueGood for newcomersGood for newcomers

Status: Open.

#566 In OpenFreeEnergy/gufe;

· IAlibay opened on Jun 17, 2025

Bump up default OpenFF version to 2.2.1

Status: Open.

#562 In OpenFreeEnergy/gufe;

· IAlibay opened on Jun 12, 2025

migrate openfe's ligand_utils to gufe

Status: Open.

Task

#560 In OpenFreeEnergy/gufe;

· atravitz opened on Jun 4, 2025

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Release 1.6