Skip to content

Updating Files from Parent Repo#1

Open
aakankschit wants to merge 116 commits intoaakankschit:masterfrom
MobleyLab:master
Open

Updating Files from Parent Repo#1
aakankschit wants to merge 116 commits intoaakankschit:masterfrom
MobleyLab:master

Conversation

@aakankschit
Copy link
Copy Markdown
Owner

No description provided.

Make various updates to MD/MC lectures
Slightly cleanup 3D structure/shape assignment to standardize with lecture
Update library searching lecture/sandbox slightly
Slightly update ligand based design slides
Make clarity/usability improvements to a couple notebooks
Correct keynote slides for a couple lectures
Update error analysis/convergence examples
Update visualization notebook
davidlmobley and others added 30 commits January 3, 2025 11:18
Update some content for 2025
Include some updates to MD assignment and README.md
Make additional updates for 2025 to 3D strucutre/shape and MC
…put-only rather than inout; caused problems on some platforms.
Fix a couple issues, one critical to MD assignment on Colab
Correct prior error introduced in mdlib
Update physical properties slides and notebooks
Update library searching asssignment to make more clear they should submit code
Update error analysis code for 2025 OpenFF and OpenMM
Update proteins lecture for 2025
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

3 participants