AstraZeneca/kallisto issues and pull requests

#50 - Bump gitpython from 3.1.36 to 3.1.41

Pull Request - State: closed - Opened by dependabot[bot] 5 months ago
Labels: dependencies

#49 - Bump urllib3 from 2.0.4 to 2.0.7

Pull Request - State: closed - Opened by dependabot[bot] 5 months ago
Labels: dependencies

#48 - Remove LGTM from README

Pull Request - State: closed - Opened by f3rmion 10 months ago

#47 - fix: fixed scipy dependency and noxfile cleanup

Pull Request - State: closed - Opened by f3rmion 10 months ago

#46 - Exchange of polydentate ligand

Issue - State: open - Opened by RobinEkberg over 1 year ago - 1 comment
Labels: help wanted, FR

#45 - fix:structure reader needs lower case input

Pull Request - State: closed - Opened by f3rmion over 1 year ago - 1 comment

#44 - Update README.md

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

#43 - Patch SciPy import error and bump version to 1.0.8

Pull Request - State: closed - Opened by f3rmion over 1 year ago

#42 - Bump dparse from 0.5.1 to 0.5.2

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago - 1 comment
Labels: dependencies

#41 - Patch version of scipy and bump to 1.0.8

Pull Request - State: closed - Opened by f3rmion over 1 year ago

#40 - Bump urllib3 from 1.26.3 to 1.26.5

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago - 1 comment
Labels: dependencies

#39 - Patch version of scipy and bump to v1.0.8

Pull Request - State: closed - Opened by f3rmion over 1 year ago

#38 - Updates maturity level badge to new standard

Pull Request - State: closed - Opened by stefanoborini almost 3 years ago - 1 comment

#37 - Update rmsd.py

Pull Request - State: closed - Opened by abnsy about 3 years ago - 1 comment

#36 - Update methods.py

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

#35 - Add isotropic electrostatic energy to eeq.

Pull Request - State: closed - Opened by f3rmion about 3 years ago - 3 comments
Labels: enhancement

#34 - Travis CI Build Instructions (Just in case others are looking for it)

Issue - State: closed - Opened by Montana about 3 years ago - 1 comment
Labels: enhancement

#33 - Is there any more documentation for the sterimol descriptors?

Issue - State: closed - Opened by Montana about 3 years ago - 2 comments

#32 - Expand test matrix to macOS

Pull Request - State: closed - Opened by RMeli over 3 years ago - 13 comments

#31 - [JOSS] Tests

Issue - State: closed - Opened by RMeli over 3 years ago - 10 comments

#30 - [JOSS] Sterimol Descriptors

Issue - State: closed - Opened by RMeli over 3 years ago - 4 comments

#29 - Error reporting on wrong usage of the CLI

Issue - State: closed - Opened by awvwgk over 3 years ago - 2 comments

#28 - [JOSS] Van der Waals Radii

Issue - State: closed - Opened by RMeli over 3 years ago - 1 comment

#27 - [JOSS] Polarizabilities

Issue - State: closed - Opened by RMeli over 3 years ago - 8 comments

#26 - [JOSS] Partial Charges

Issue - State: closed - Opened by RMeli over 3 years ago - 11 comments

#25 - Numpy Citation

Issue - State: closed - Opened by Sulstice over 3 years ago - 2 comments

#24 - [JOSS] Coordination Numbers and Spheres

Issue - State: closed - Opened by RMeli over 3 years ago - 3 comments
Labels: JOSS

#23 - [JOSS] RMSD

Issue - State: closed - Opened by RMeli over 3 years ago - 5 comments
Labels: JOSS

#22 - [JOSS] VDW radii

Issue - State: closed - Opened by Sulstice over 3 years ago - 5 comments
Labels: JOSS

#21 - [JOSS] Units

Issue - State: closed - Opened by Sulstice over 3 years ago - 2 comments
Labels: JOSS

#20 - [JOSS] Slots

Issue - State: closed - Opened by Sulstice over 3 years ago - 4 comments
Labels: JOSS

#19 - [JOSS] grid module outside of kallisto

Issue - State: closed - Opened by RMeli over 3 years ago - 3 comments
Labels: JOSS

#18 - Test Section in the Feature's Pages

Issue - State: closed - Opened by Sulstice over 3 years ago - 6 comments
Labels: JOSS

#17 - Recommend FOSSA for license visibility

Issue - State: closed - Opened by Sulstice over 3 years ago - 1 comment
Labels: JOSS

#16 - Example Files for xyz

Issue - State: closed - Opened by Sulstice over 3 years ago - 1 comment
Labels: JOSS

#15 - [JOSS] Paper

Issue - State: closed - Opened by RMeli over 3 years ago - 5 comments
Labels: JOSS

#14 - No output if not in verbose mode?

Issue - State: closed - Opened by awvwgk over 3 years ago - 2 comments
Labels: bug

#13 - Edits to pyproject.toml file

Issue - State: closed - Opened by Sulstice over 3 years ago - 1 comment
Labels: JOSS

#12 - List links to your websites or names of people on the project. I want to see who you guys are and your style.

Issue - State: closed - Opened by Sulstice over 3 years ago - 1 comment
Labels: JOSS

#11 - Python Badge Adjustment - Suggestion

Issue - State: closed - Opened by Sulstice over 3 years ago - 5 comments
Labels: JOSS

#10 - Feature request: solvent accessible surface area (SASA)

Issue - State: open - Opened by f3rmion over 3 years ago - 4 comments
Labels: wontfix, FR

#9 - Create CODE_OF_CONDUCT.md

Pull Request - State: closed - Opened by f3rmion over 3 years ago - 1 comment