Closed DomInvivo closed 2 years ago
Is this relevant to datamol? If so, I'll improve the pull-request and make some tests.
Functions to re-order a molecule from a template ordering, and to match molecules with different orderings.
Is this relevant to datamol? If so, I'll improve the pull-request and make some tests.
Functions to re-order a molecule from a template ordering, and to match molecules with different orderings.