forlilab/Ringtail issues and pull requests

#52 - Prune readme

Pull Request - State: closed - Opened by maylinnp 26 days ago

#51 - Significantly sped up filtering and minor bug fixes

Pull Request - State: closed - Opened by maylinnp 29 days ago

#50 - Molecule name missing

Issue - State: closed - Opened by diogomart 2 months ago - 5 comments
Labels: enhancement

#49 - Raise error, exit, or return 0 poses, instead of automatically ignoring interaction that doesn't exist

Issue - State: closed - Opened by diogomart 2 months ago - 1 comment

#48 - Problem with a union of interaction combinations (max_miss>0) and energies in result output

Issue - State: closed - Opened by maylinnp 2 months ago - 1 comment
Labels: bug

#47 - Problem with a union of interaction combinations (max_miss>0) and ligand counting

Issue - State: closed - Opened by maylinnp 2 months ago - 1 comment
Labels: question

#46 - Problem with bookmark_name for write_molecule_sdfs

Issue - State: closed - Opened by maylinnp 2 months ago - 1 comment
Labels: bug

#45 - Finalizing write takes increasingly longer time with consecutive writes

Issue - State: closed - Opened by diogomart 3 months ago - 1 comment
Labels: bug

#44 - When standard output says "N files written to database. " actually there were (N+1) files written to database

Issue - State: closed - Opened by rwxayheee 4 months ago - 1 comment

#43 - `too many columns on Interaction_bitvectors` when trying to write .db from docking outputs

Issue - State: closed - Opened by rwxayheee 4 months ago - 5 comments
Labels: question

#42 - Filters in pytest `test_similar_ligands_mfpt` and `test_similar_ligands_interaction` Failed on certain platforms

Issue - State: closed - Opened by rwxayheee 4 months ago - 1 comment

#41 - Problem with a union of interaction combinations (`max_miss`>0): bookmark_name for `write_molecule_sdfs`, ligand counting, and energies in result output

Issue - State: closed - Opened by rwxayheee 4 months ago - 3 comments
Labels: question

#40 - Check if bookmark exists before `RingtailCore.write_molecule_sdfs`

Issue - State: closed - Opened by rwxayheee 4 months ago - 1 comment

#39 - api_dev_X into api_dev

Pull Request - State: closed - Opened by maylinnp 4 months ago

#38 - Grid spacing is zero

Issue - State: closed - Opened by allisonbarkdull 5 months ago - 1 comment

#37 - Feature request: Modules for AUC, BEDROC and EF

Issue - State: closed - Opened by eunos-1128 5 months ago - 5 comments
Labels: enhancement

#36 - Bug fixing duplicate handling and internal consistency in table ids

Pull Request - State: closed - Opened by maylinnp 5 months ago - 2 comments
Labels: bug

#35 - Cluster size not extracted from dlg

Issue - State: closed - Opened by alfredoq 6 months ago - 7 comments

#34 - remove method RingtailCore.set_logger_level()

Pull Request - State: closed - Opened by diogomart 6 months ago

#33 - Read vina string

Pull Request - State: closed - Opened by maylinnp 7 months ago

#32 - Ringtailcore problem

Issue - State: closed - Opened by agusgrich 9 months ago

#31 - swapped depreceated pkg for new version mngr

Pull Request - State: closed - Opened by maylinnp 11 months ago

#30 - Filters -mfpc -ifpc do not pass any ligands

Issue - State: closed - Opened by LeThucMinhChau 11 months ago - 1 comment

#29 - Writting sdf files using python scripts

Issue - State: closed - Opened by alfredoq 12 months ago - 7 comments
Labels: question

#28 - Error occurred while writing SDF from RDKit Mol

Issue - State: closed - Opened by LeThucMinhChau 12 months ago - 7 comments
Labels: bug

#27 - Clustering on an existing bookmark doesn't do anything

Issue - State: closed - Opened by mattholc 12 months ago - 1 comment
Labels: bug

#26 - Deprecation warning from pkg_resources

Issue - State: closed - Opened by althea-hansel 12 months ago

#25 - Ligand interaction export option

Issue - State: closed - Opened by althea-hansel about 1 year ago - 2 comments
Labels: enhancement

#24 - Sdf writing features

Issue - State: closed - Opened by mattholc about 1 year ago - 3 comments
Labels: enhancement

#23 - Error occured while writing database

Issue - State: closed - Opened by mallanos about 1 year ago - 1 comment
Labels: bug

#22 - Interactive pose visualization with interaction-distance clusterin

Issue - State: open - Opened by mattholc over 1 year ago
Labels: enhancement