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Update checklist
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#16
opened Dec 13, 2024 by
fjclark
Update free energy datasets overview
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#15
opened Dec 13, 2024 by
fjclark
Add conclusion
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#14
opened Dec 13, 2024 by
fjclark
Add unsettled practices and current limitations section
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#13
opened Dec 13, 2024 by
fjclark
Update best practices for reporting data
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#12
opened Dec 13, 2024 by
fjclark
Update discussion of uncertainty estimation
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#11
opened Dec 13, 2024 by
fjclark
Add "How should I automate my calculations?" section
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#10
opened Dec 13, 2024 by
fjclark
Update "Large-scale simulation planning" section
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#9
opened Dec 13, 2024 by
fjclark
Update discussion of atom mapping from original best practices
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#8
opened Dec 13, 2024 by
fjclark
Discuss alchemical calculations in virtual screening
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#7
opened Dec 13, 2024 by
fjclark
Update discussion of perturbation networks
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#6
opened Dec 13, 2024 by
fjclark
Better integrate sections copied from V1 into "Is my problem suitable for alchemical free energy calculations"
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#5
opened Dec 13, 2024 by
fjclark
Add "Prerequisites and scope" section
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#4
opened Dec 13, 2024 by
fjclark
Add "What are alchemical free energy methods" section
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#3
opened Dec 13, 2024 by
fjclark
Write abstract
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#2
opened Dec 13, 2024 by
fjclark
ProTip!
Exclude everything labeled
bug
with -label:bug.