Ecosyste.ms: Issues

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GitHub / duartegroup/molfunc issues and pull requests

#14 - Add all fragment combinations

Pull Request - State: closed - Opened by t-young31 over 3 years ago - 1 comment
Labels: enhancement

#13 - Update README

Pull Request - State: closed - Opened by t-young31 over 3 years ago - 1 comment

#12 - Fix bug in combination

Pull Request - State: closed - Opened by t-young31 over 3 years ago - 1 comment

#11 - Release update

Pull Request - State: closed - Opened by t-young31 over 3 years ago - 1 comment

#10 - Global optimisation

Pull Request - State: closed - Opened by t-young31 over 3 years ago

#9 - Add exception for invalid fragment SMILES

Pull Request - State: closed - Opened by t-young31 almost 4 years ago - 1 comment

#8 - Improved accuracy

Pull Request - State: closed - Opened by t-young31 almost 4 years ago - 1 comment

#7 - Minor improvements

Pull Request - State: closed - Opened by t-young31 over 4 years ago - 1 comment

#6 - Documentation and Cython minimisation

Pull Request - State: closed - Opened by t-young31 over 4 years ago - 1 comment

#5 - Allow Fr based fragments

Pull Request - State: closed - Opened by t-young31 over 4 years ago - 1 comment

#4 - Fix for single smiles init

Pull Request - State: closed - Opened by t-young31 over 4 years ago - 1 comment

#3 - Added pip distribution

Pull Request - State: closed - Opened by t-young31 over 4 years ago - 1 comment

#2 - Fixes issue with removing first atom

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

#1 - Fixes error when CoreMolecule specifies no atoms to delete

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