Ecosyste.ms: Issues

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GitHub / oddt/oddt issues and pull requests

#80 - SimpleInteractionFingerprint error

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

#79 - Fix for calccharges UserWarning

Pull Request - State: closed - Opened by ravila4 almost 7 years ago - 1 comment

#78 - calccharges method for RDKit

Pull Request - State: closed - Opened by mwojcikowski almost 7 years ago - 1 comment

#77 - Charges in PDBQT files

Issue - State: closed - Opened by dcm9123 almost 7 years ago - 10 comments

#76 - Initial PLECscore implementation

Pull Request - State: closed - Opened by mwojcikowski almost 7 years ago - 1 comment

#71 - Do not renumber residue id in protein input file

Issue - State: closed - Opened by fabricecarles almost 7 years ago - 9 comments

#59 - [WIP] Implement RF-Score v4

Pull Request - State: open - Opened by mwojcikowski almost 7 years ago

#36 - Implement RI-Score

Issue - State: closed - Opened by mwojcikowski over 7 years ago
Labels: TODO

#26 - Implement X-Score

Issue - State: open - Opened by mwojcikowski over 7 years ago
Labels: TODO

#19 - Implement Glide support

Issue - State: closed - Opened by mwojcikowski almost 8 years ago
Labels: TODO