-
Notifications
You must be signed in to change notification settings - Fork 0
Issues: alchemistry/largescale-alchemy-best-practices
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
Author
Label
Projects
Milestones
Assignee
Sort
Issues list
Update checklist
volunteers wanted
Please volunteer to author or review
#16
opened Dec 13, 2024 by
fjclark
Update free energy datasets overview
volunteers wanted
Please volunteer to author or review
#15
opened Dec 13, 2024 by
fjclark
Add conclusion
volunteers wanted
Please volunteer to author or review
#14
opened Dec 13, 2024 by
fjclark
Add unsettled practices and current limitations section
volunteers wanted
Please volunteer to author or review
#13
opened Dec 13, 2024 by
fjclark
Update best practices for reporting data
awaiting author/reviewer confirmation
volunteers wanted
Please volunteer to author or review
#12
opened Dec 13, 2024 by
fjclark
Update discussion of uncertainty estimation
awaiting author/reviewer confirmation
volunteers wanted
Please volunteer to author or review
#11
opened Dec 13, 2024 by
fjclark
Add "How should I automate my calculations?" section
awaiting author/reviewer confirmation
volunteers wanted
Please volunteer to author or review
#10
opened Dec 13, 2024 by
fjclark
Update "Large-scale simulation planning" section
volunteers wanted
Please volunteer to author or review
#9
opened Dec 13, 2024 by
fjclark
Update discussion of atom mapping from original best practices
awaiting author/reviewer confirmation
volunteers wanted
Please volunteer to author or review
#8
opened Dec 13, 2024 by
fjclark
Discuss alchemical calculations in virtual screening
volunteers wanted
Please volunteer to author or review
#7
opened Dec 13, 2024 by
fjclark
Update discussion of perturbation networks
awaiting author/reviewer confirmation
#6
opened Dec 13, 2024 by
fjclark
Better integrate sections copied from V1 into "Is my problem suitable for alchemical free energy calculations"
volunteers wanted
Please volunteer to author or review
#5
opened Dec 13, 2024 by
fjclark
Add "Prerequisites and scope" section
awaiting author/reviewer confirmation
volunteers wanted
Please volunteer to author or review
#4
opened Dec 13, 2024 by
fjclark
Add "What are alchemical free energy methods" section
volunteers wanted
Please volunteer to author or review
#3
opened Dec 13, 2024 by
fjclark
Write abstract
volunteers wanted
Please volunteer to author or review
#2
opened Dec 13, 2024 by
fjclark
ProTip!
Add no:assignee to see everything that’s not assigned.