Ecosyste.ms: Issues

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GitHub / DrrDom/crem issues and pull requests

#28 - Database Visualization and Variation Inquiry

Issue - State: open - Opened by vas2201 4 months ago - 1 comment

#27 - Adding a delimiter to save the output results of fragmentation

Pull Request - State: closed - Opened by amirtha-montai 5 months ago - 3 comments

#26 - Issue in

Issue - State: closed - Opened by amirtha-montai 5 months ago - 3 comments

#25 - how to employ the grow_mol2/mut_mol2 function

Issue - State: closed - Opened by MachineGUN001 about 1 year ago - 2 comments

#24 - enumerate_compounds: filtering the generated molecules to meet my criteria

Issue - State: open - Opened by AlanTanKX about 1 year ago - 5 comments

#23 - error of enumerate_compounds function

Issue - State: closed - Opened by MachineGUN001 about 1 year ago - 4 comments

#22 - Multiple replacements in grow_mol

Issue - State: closed - Opened by AlanTanKX over 1 year ago - 2 comments
Labels: documentation

#21 - auxiliary function get_replacements

Issue - State: closed - Opened by MachineGUN001 over 1 year ago - 2 comments

#20 - sequence datatype inputs fix for random.sample calls

Pull Request - State: closed - Opened by aebrer over 1 year ago - 3 comments

#19 - [bug] package is incompatible with python 3.11+

Issue - State: closed - Opened by aebrer over 1 year ago - 1 comment

#18 - Results different between online app and local version

Issue - State: closed - Opened by spadavec over 1 year ago - 2 comments

#17 - fragmentation problem

Issue - State: open - Opened by suice07 almost 2 years ago - 6 comments

#16 - AtomKekulizeException: non-ring atom 2 marked aromatic

Issue - State: closed - Opened by ale94mleon about 2 years ago - 2 comments

#15 - Problem with guacamol_test.py

Issue - State: open - Opened by agiani99 about 2 years ago - 1 comment

#13 - grow_mol error when used on fragments with dummy atoms

Issue - State: closed - Opened by xescape over 2 years ago - 2 comments

#12 - Reproducible output

Issue - State: open - Opened by DrrDom over 2 years ago - 1 comment
Labels: enhancement

#11 - fragmentation py issue: Can't generate mol for: SMILES

Issue - State: closed - Opened by MachineGUN001 over 2 years ago - 6 comments

#10 - No such table: radius3

Issue - State: closed - Opened by prokia over 2 years ago - 2 comments

#9 - Add mol id to db

Pull Request - State: closed - Opened by MehdiABM almost 3 years ago

#8 - Store mol id in db

Pull Request - State: closed - Opened by MehdiABM almost 3 years ago

#7 - Opening Pre-Compiled Databases

Issue - State: closed - Opened by jbannon almost 3 years ago - 2 comments

#6 - Utils. Scaffold and analogs modes

Pull Request - State: closed - Opened by avnikonenko about 3 years ago

#5 - Feature/fragmentation params

Pull Request - State: closed - Opened by jacquesboitreaud about 3 years ago

#4 - Parameters relevant for speed in mutate_mol

Issue - State: open - Opened by andrewdchen over 3 years ago - 11 comments

#3 - Fragmentation

Issue - State: closed - Opened by rajathsalegame about 4 years ago - 4 comments

#2 - Tutorials

Issue - State: open - Opened by rajathsalegame about 4 years ago - 5 comments

#1 - Fix error if max_replacements is too small

Pull Request - State: closed - Opened by kazuyaujihara over 4 years ago - 1 comment