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Merge pull request #50 from openforcefield/update_vignettes_workshop
Update vignettes workshop
2 parents e44e92b + 676142d commit 8894058

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source/workshops/2024/vignettes.md

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@@ -7,11 +7,11 @@ This workshop will display this flexibility by demonstrating a variety of unusua
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First session
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: [Mar 12 22:00 UTC](https://time.is/0900_13_Mar_2024_in_Canberra/Tokyo/Auckland,_New_Zealand/Los_Angeles/Chicago/Phoenix/New_York/UTC?OpenFF_Vignettes_Workshop)
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: [💨 Join on Zoom](https://us06web.zoom.us/j/88273328068?pwd=VtDJg1lJYbnLAI8aA2VPtYQEaw5Ebj.1)
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Second session
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: [Apr 24 12:00 UTC](https://time.is/2200_24_Apr_2024_in_Canberra/Beijing/Berlin/Los_Angeles/Chicago/Phoenix/New_York/London/UTC?Vignettes_OpenFF_Workshop)
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: [💨 Join on Zoom](https://us06web.zoom.us/j/87885784973?pwd=gnIHcbboXbxdopbG3OBb9kyoUKUYLr.1)
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Zoom links will be published here 24 hours before the sessions begin.
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## Workshop Materials
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source/workshops/2024/vignettes/colab-env.yml

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# Notebook + runtime
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- ipywidgets=7.6.0
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# Examples
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- openff-toolkit-examples>=0.14.5
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- openff-interchange>=0.3.18
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- openff-nagl
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- openff-bespokefit>=0.2.3
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- openff-toolkit-examples >=0.16.0
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- openff-interchange >=0.3.25
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- openff-nagl >=0.3.7
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- openff-bespokefit
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- openff-forcefields >= 2024.04.0
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- openff-qcsubmit
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- gromacs >=2021=nompi*
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- lammps
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- lammps >=2023.08.02
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- rich
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- jax
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- dgl
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- nglview=3.0.3
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- xtb-python
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- pdbfixer
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- mdtraj
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- propka
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- pdb2pqr
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- openmmtools
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- chemper
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- dockstring
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- mdanalysis
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- plotly

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