michellab/freenrgworkflows issues and pull requests

#26 - changes for workshop so that the network can be analysed

Pull Request - State: closed - Opened by annamherz over 2 years ago - 1 comment

#25 - Citing (and license)

Pull Request - State: closed - Opened by JenkeScheen almost 3 years ago - 2 comments

#24 - Feature: add replicates

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

#23 - Feat regress

Pull Request - State: closed - Opened by ppxasjsm almost 4 years ago

#22 - Clarification on uncertainty estimates for dataset metrics

Issue - State: open - Opened by jmichel80 over 5 years ago - 15 comments

#21 - Bug fixes

Pull Request - State: closed - Opened by ppxasjsm over 5 years ago

#20 - Typo in script

Issue - State: closed - Opened by mark-cresset over 5 years ago - 2 comments

#19 - Fixes encoding, float tests and jupyter dependency

Pull Request - State: closed - Opened by ptosco over 5 years ago - 2 comments

#18 - Divide by zero error if network is perfect

Issue - State: closed - Opened by ppxasjsm almost 6 years ago - 4 comments

#17 - Mult run fix

Pull Request - State: closed - Opened by ppxasjsm almost 6 years ago

#16 - Small changes in relative binding free energies depending on the chosen reference ligand

Issue - State: closed - Opened by maxjump about 6 years ago - 11 comments

#15 - plotter has issues with x and y label and dockstrings

Issue - State: closed - Opened by ppxasjsm about 6 years ago - 1 comment
Labels: bug

#14 - Bug fix

Pull Request - State: closed - Opened by ppxasjsm about 6 years ago

#13 - Kendall's Tau Error

Issue - State: closed - Opened by maxjump about 6 years ago - 3 comments

#12 - Write notebook

Pull Request - State: closed - Opened by ppxasjsm over 6 years ago

#11 - Feat kd conversion

Pull Request - State: closed - Opened by ppxasjsm over 6 years ago

#10 - autogenerate ipython notebook

Issue - State: closed - Opened by ppxasjsm about 7 years ago - 1 comment

#9 - tests for experiments

Issue - State: closed - Opened by ppxasjsm about 7 years ago - 1 comment

#8 - tests for plotting

Issue - State: open - Opened by ppxasjsm about 7 years ago

#7 - Better formatted print options

Issue - State: closed - Opened by jmichel80 about 8 years ago - 4 comments

#6 - Create autodoc with sphinx

Issue - State: open - Opened by ppxasjsm about 8 years ago

#5 - Python 2 and 3 compatibility

Issue - State: closed - Opened by ppxasjsm about 8 years ago - 1 comment

#4 - recognition of different binding modes for same compounds

Issue - State: closed - Opened by ppxasjsm about 8 years ago - 4 comments

#3 - Automatic binding mode selection/calculation