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OpenFreeEnergy / openfe Public

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Adding net charge support for ABFEs#2022

Draft

IAlibay wants to merge 42 commits into

mainOpenFreeEnergy/openfe:mainfrom

net_charge_abfe_v2OpenFreeEnergy/openfe:net_charge_abfe_v2Copy head branch name to clipboard

Conversation Commits42 (42)Checks Files changed

Draft

Adding net charge support for ABFEs#2022
IAlibay wants to merge 42 commits into
mainfrom
net_charge_abfe_v2

Merge branch 'main' into net_charge_abfe_v2

77b1c85

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API break check on: pull_request 2

griffe

PR: mypy static type checking on: pull_request 1

mypy

CI on: pull_request 11

💻-ubuntu-latest 🐍-3.11 oechem: no

💻-ubuntu-latest 🐍-3.12 oechem: no

💻-ubuntu-latest 🐍-3.13 oechem: no

💻-ubuntu-latest 🐍-3.13 oechem: yes

💻-macos-latest 🐍-3.12 oechem: no

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