Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / OpenFreeEnergy/Lomap issues and pull requests
#33 - Enforce single fragment from MCS
Pull Request -
State: closed - Opened by richardjgowers over 1 year ago
- 1 comment
#32 - multiple fragments sometimes identified
Issue -
State: open - Opened by richardjgowers over 1 year ago
- 1 comment
#31 - Update CI.yaml
Pull Request -
State: closed - Opened by richardjgowers over 1 year ago
#30 - Improve CI
Pull Request -
State: closed - Opened by mikemhenry over 1 year ago
#29 - Add gufe Bindings to Lomap package
Pull Request -
State: closed - Opened by richardjgowers over 1 year ago
- 1 comment
#28 - computing full matrix for radial maps with hub provided
Issue -
State: closed - Opened by arjun-nufc over 1 year ago
- 4 comments
#27 - Issue 26 symmetry woes
Pull Request -
State: closed - Opened by richardjgowers over 1 year ago
- 1 comment
#26 - symmetry problems
Issue -
State: closed - Opened by richardjgowers over 1 year ago
#25 - use common core for DBMolecules
Pull Request -
State: closed - Opened by richardjgowers over 1 year ago
- 1 comment
#24 - Radial argument fails to create radial network
Issue -
State: closed - Opened by DreamCykl over 1 year ago
- 1 comment
#23 - Switch from rdkit-pypi to rdkit
Pull Request -
State: closed - Opened by IAlibay almost 2 years ago
#22 - TST: Re-enable some disabled tests
Pull Request -
State: closed - Opened by richardjgowers about 2 years ago
#21 - Switch to setup.cfg; update requirements
Pull Request -
State: closed - Opened by dwhswenson about 2 years ago
- 5 comments
#20 - Fix how tests are provided when LOMAP is installed
Issue -
State: closed - Opened by dwhswenson about 2 years ago
- 5 comments
#19 - Explicitly decalre installation requirements.
Pull Request -
State: closed - Opened by shishaochen over 2 years ago
- 1 comment
#18 - Fix edge cases and refine code style.
Pull Request -
State: closed - Opened by shishaochen over 2 years ago
- 2 comments
#17 - Update authors to reflect current OpenFE contributors
Issue -
State: closed - Opened by IAlibay over 2 years ago
- 2 comments
#16 - Fix hydrogen to heavy when element changes are not allowed
Pull Request -
State: closed - Opened by IAlibay over 2 years ago
- 1 comment
#15 - added element change to MCS
Pull Request -
State: closed - Opened by richardjgowers over 2 years ago
- 3 comments
#14 - Disallow element changes
Issue -
State: closed - Opened by richardjgowers over 2 years ago
- 1 comment
#13 - MCS update needed to handle stereo atoms when mapping
Issue -
State: open - Opened by pitmanme over 2 years ago
#12 - Add history section of readme w/ link to old repo
Pull Request -
State: closed - Opened by dwhswenson over 2 years ago
#11 - Add CITATION file
Issue -
State: open - Opened by dwhswenson over 2 years ago
- 2 comments
#10 - Add sphinx docs
Issue -
State: open - Opened by dwhswenson over 2 years ago
#9 - Add conda install instructions to README
Pull Request -
State: closed - Opened by dwhswenson over 2 years ago
#8 - Add conda install info?
Issue -
State: closed - Opened by davidlmobley over 2 years ago
- 3 comments
#7 - fix mapping
Pull Request -
State: closed - Opened by IAlibay over 2 years ago
- 1 comment
#6 - Steps to move main development here
Issue -
State: closed - Opened by dwhswenson almost 3 years ago
- 5 comments
#5 - Add Lomap conda package
Issue -
State: closed - Opened by richardjgowers almost 3 years ago
- 10 comments
#4 - Lomap MCS throws ValueError if rdkit.Mol created from SMILES
Issue -
State: open - Opened by dwhswenson almost 3 years ago
- 3 comments
#3 - Mcs regression tests
Pull Request -
State: closed - Opened by richardjgowers almost 3 years ago
- 1 comment
#2 - CI Fixes
Pull Request -
State: closed - Opened by mikemhenry almost 3 years ago
- 7 comments
#1 - first pass on CI
Pull Request -
State: closed - Opened by mikemhenry almost 3 years ago