Ecosyste.ms: Issues

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GitHub / openfreeenergy/feflow issues and pull requests

#16 - [WIP] Settings model with both pydantic 1 and 2 support

Pull Request - State: closed - Opened by ijpulidos about 1 year ago - 2 comments

#15 - Implement ATM protocol

Issue - State: open - Opened by ijpulidos about 1 year ago

#14 - Support pydantic 2

Issue - State: closed - Opened by ijpulidos about 1 year ago - 2 comments

#13 - Support openfe 0.14

Pull Request - State: closed - Opened by ijpulidos about 1 year ago - 6 comments

#12 - Remove defaults from test_env.yaml

Pull Request - State: closed - Opened by mikemhenry about 1 year ago - 1 comment

#11 - Support openfe 0.14

Issue - State: closed - Opened by ijpulidos about 1 year ago
Labels: enhancement

#10 - Cleaning imports and adding dependencies

Pull Request - State: closed - Opened by ijpulidos about 1 year ago - 2 comments

#9 - Clean up deps before conda-forge release

Issue - State: closed - Opened by mikemhenry about 1 year ago

#8 - Integrate REST capable HTF from perses into FEflow

Issue - State: open - Opened by ijpulidos about 1 year ago - 1 comment

#7 - Protein mutation protocol implementation

Issue - State: open - Opened by ijpulidos over 1 year ago - 2 comments

#6 - Alchemical settings migration

Issue - State: open - Opened by ijpulidos over 1 year ago

#5 - Extend protocols results with helpful quantities for analysis

Issue - State: open - Opened by ijpulidos over 1 year ago - 2 comments

#4 - NEq cycling rebase

Pull Request - State: closed - Opened by ijpulidos over 1 year ago - 3 comments

#3 - Splitting out SetupUnit from SimulationUnit in NonEquilibriumCyclingProtocol

Pull Request - State: closed - Opened by dotsdl over 1 year ago - 4 comments

#2 - Add `extends` support to the `NonEquilibriumCyclingProtocol`

Issue - State: open - Opened by dotsdl over 1 year ago - 1 comment
Labels: priority:medium

#1 - Migrate Nonequilibrium cycling protocol from perses

Issue - State: closed - Opened by ijpulidos over 1 year ago