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cmelab / morphct Public

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Update examples to use GRiTS#39

Open

jennyfothergill wants to merge 12 commits intocmelab:mastercmelab/morphct:masterfrom

jennyfothergill:feat/gritsjennyfothergill/morphct:feat/gritsCopy head branch name to clipboard

Conversation Commits12 (12)Checks Files changed

Open

Update examples to use GRiTS#39
jennyfothergill wants to merge 12 commits intocmelab:masterfrom
jennyfothergill:feat/grits

Commits

Commits on Jan 27, 2022

Update p3ht tutorial to use grits
jennyfothergill
committed
Add grits to environment
jennyfothergill
committed
Sorted dependencies
jennyfothergill
committed
Added rdkit and WIP ITIC notebook
jennyfothergill
committed
Merge branch 'master' of github.com:cmelab/morphct into feat/grits
jennyfothergill
committed
Update mbuild
jennyfothergill
committed
Update ITIC workflow
jennyfothergill
committed

Commits on Jan 31, 2022

Show current hangups of ITIC process with GRiTS
jennyfothergill
committed
Add (temporarily) ITIC mol2 file from planckton
jennyfothergill
committed
Add new itic trajectory with planar ITIC
jennyfothergill
committed

Commits on Feb 17, 2022

Update
jennyfothergill
committed
Merge branch 'master' of github.com:cmelab/morphct into feat/grits
jennyfothergill
committed

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