Conversation
…n sigmadock runner. SigmDock binary still expects hardcoded naming convention. Handled by runner. Adapted pytest to reflect SigmaDock neccessary naming conventions.
added conversion to poses class
…fusion3 input specs
Feature/atomselection
Feature/atomselection
Correct example files, added proper naming for SigmaDock binary
added feature to write renumbered .pdb files after running rfdiffision3
Feature/cifsupport
added parameter to auto-update atomic motifs in rfdiffusion3
Feature/residueselection
…N_seeds, GPU can co OOM with large num_seeds
…diate falure upon wrong ligand selection.
…diate falure upon wrong ligand selection.
convert_poses requires a non-empty PROTFLOW_ENV, but the CI config mock left it as "". Set a placeholder so the convert_poses test passes under the mock.
modified from_contig to skip undefined contig parts
hydraprot runner
wrapper script
preserve only residues in contig during renumbering
…ymbol would not be put in quotes (causing bash to think this is a pipe
…ot to bin/python!
Changed Documentation, score storing minor bugfixes.
implemented "keep_chains" option for SequenceRemover to specify chain…
Feature/pottsmpnn
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
3 participants
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
No description provided.