Ecosyste.ms: Issues

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GitHub / healx/lig3dlens issues and pull requests

#18 - Allow use of predetermined reference ligand conformation

Issue - State: closed - Opened by Evert-Homan 11 months ago - 4 comments
Labels: enhancement

#17 - build: Add CODEOWNERS

Pull Request - State: closed - Opened by danodonovan 12 months ago

#16 - fix: processes kwarg always >0

Pull Request - State: closed - Opened by danodonovan 12 months ago

#15 - ValueError: Number of processes must be at least 1

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

#14 - Lig3d.

Issue - State: closed - Opened by scooby22400 12 months ago

#13 - [DOD 372] invalid smiles

Pull Request - State: closed - Opened by danodonovan about 1 year ago

#12 - Meso-ionic crash library prep

Issue - State: closed - Opened by jproudfoot11 about 1 year ago - 3 comments

#11 - Update README.md - added info about installing psi4

Pull Request - State: closed - Opened by bill-tatsis about 1 year ago - 1 comment

#10 - Update README.md

Pull Request - State: closed - Opened by bill-tatsis over 1 year ago

#9 - Repo tidying

Pull Request - State: closed - Opened by danodonovan over 1 year ago

#8 - fixed a bug related to the input file (ID column)

Pull Request - State: closed - Opened by bill-tatsis over 1 year ago - 4 comments

#7 - Update README.md

Pull Request - State: closed - Opened by bill-tatsis over 1 year ago - 1 comment

#6 - tests: add parser unit tests

Pull Request - State: closed - Opened by danodonovan over 1 year ago - 2 comments

#5 - Refactor CLI

Pull Request - State: closed - Opened by danodonovan over 1 year ago - 1 comment

#4 - added LICENSE & preambles

Pull Request - State: closed - Opened by bill-tatsis over 1 year ago

#3 - Update makefile linting, testing, and tidying

Pull Request - State: closed - Opened by djm-healx over 1 year ago

#3 - Update makefile linting, testing, and tidying

Pull Request - State: closed - Opened by djm-healx over 1 year ago

#2 - [DOD 241] Implement linting

Pull Request - State: closed - Opened by danodonovan over 1 year ago

#1 - [DOD 240] Package for distribution

Pull Request - State: closed - Opened by danodonovan over 1 year ago - 1 comment