Merge pull request #55 from openforcefield/2024-workshop-updates

Update workshops for posterity

Author: Yoshanuikabundi

source/workshops/2024/protein_prep.md

@@ -5,14 +5,10 @@ Today, Jupyter notebooks are everything you need to prepare a molecular dynamics
 This workshop covers the preparation of a protein system from a structure downloaded from the PDB, entirely in the Jupyter notebook, complete with 3D visualizations at every step of the way. We hope to make it accessible even to new MD practitioners, assuming they have some familiarity with Python. 
 
 First session
-: [Feb 27 23:00 UTC](https://time.is/1000_28_Feb_2024_in_Canberra/Tokyo/Auckland,_New_Zealand/Los_Angeles/Chicago/Phoenix/New_York/UTC?Protein_Prep_OpenFF_Workshop)
+: [Feb 27 2024 23:00 UTC](https://time.is/1000_28_Feb_2024_in_Canberra/Tokyo/Auckland,_New_Zealand/Los_Angeles/Chicago/Phoenix/New_York/UTC?Protein_Prep_OpenFF_Workshop)
 
 Second Session
-: [Apr 17 12:00 UTC](https://time.is/2200_17_Apr_2024_in_Canberra/Beijing/Berlin/Los_Angeles/Chicago/Phoenix/New_York/London/UTC?Protein_Prep_OpenFF_Workshop)
-
-: [💨 Join on Zoom](https://us06web.zoom.us/j/85120722786?pwd=Hb4mp4gOkNnjyarG4RLsoR9ClEPDDC.1)
-
-Zoom links will be published here 24 hours before the sessions begin.
+: [Apr 17 2024 12:00 UTC](https://time.is/2200_17_Apr_2024_in_Canberra/Beijing/Berlin/Los_Angeles/Chicago/Phoenix/New_York/London/UTC?Protein_Prep_OpenFF_Workshop)
 
 Materials and Google Colab links can be found below.
 

source/workshops/2024/protein_prep/2024_protein_prep_workshop_materials.zip

@@ -10,8 +10,8 @@ dependencies:
     - requests
     - packaging
     # Examples
-    - openff-toolkit-examples>=0.15.2
-    - openff-interchange>=0.3.25
+    - openff-toolkit-examples>=0.16.0
+    - openff-interchange>=0.3.27
     - openff-nagl >=0.3.7
     # - openff-bespokefit
     # - openff-fragmenter

source/workshops/2024/protein_prep/colab-env.yml

@@ -5,14 +5,10 @@ SMIRNOFF is an open format for specifying molecular mechanics force fields direc
 This workshop introduces the SMIRNOFF format to familiar MD practitioners and describes how a system can be parametrized from a SMIRNOFF force field for a number of different MD engines. We hope to get both users and developers of molecular mechanics force fields excited about this game changing format.
 
 First Session
-: [Feb 20 23:00 UTC](https://time.is/1000_21_Feb_2024_in_Canberra/Tokyo/Auckland,_New_Zealand/Los_Angeles/Chicago/Phoenix/New_York/UTC?SMIRNOFF_OpenFF_Workshop)
+: [Feb 20 2024 23:00 UTC](https://time.is/1000_21_Feb_2024_in_Canberra/Tokyo/Auckland,_New_Zealand/Los_Angeles/Chicago/Phoenix/New_York/UTC?SMIRNOFF_OpenFF_Workshop)
 
 Second Session
-: [Apr 10 12:00 UTC](https://time.is/2200_10_Apr_2024_in_Canberra/Beijing/Berlin/Los_Angeles/Chicago/Phoenix/New_York/London/UTC?SMIRNOFF_OpenFF_Workshop)
-
-: [💨 Join on Zoom](https://us06web.zoom.us/j/87669037455?pwd=CK8ETt2HwXJe7h9rM42JbFzaU9RJFJ.1)
-
-Zoom links will be published here 24 hours before the sessions begin.
+: [Apr 10 2024 12:00 UTC](https://time.is/2200_10_Apr_2024_in_Canberra/Beijing/Berlin/Los_Angeles/Chicago/Phoenix/New_York/London/UTC?SMIRNOFF_OpenFF_Workshop)
 
 Materials and Google Colab links can be found below.
 

source/workshops/2024/smirnoff.md

@@ -6,8 +6,8 @@ dependencies:
     - ipywidgets=7.6.0
     - nglview=3.0.3
     # Examples
-    - openff-toolkit-examples ~=0.15.2
-    - openff-interchange ~=0.3.25
+    - openff-toolkit-examples ~=0.16.0
+    - openff-interchange ~=0.3.27
     - openff-nagl ~=0.3.7
     - openff-bespokefit
     - gromacs >=2021=nompi*

source/workshops/2024/smirnoff/2024_smirnoff_workshop_materials.zip

@@ -13,8 +13,8 @@ dependencies:
     - black
     - isort
     # Examples
-    - openff-toolkit-examples ~=0.15.2
-    - openff-interchange ~=0.3.25
+    - openff-toolkit-examples ~=0.16
+    - openff-interchange ~=0.3.27
     - openff-nagl ~=0.3.7
     - openff-bespokefit
     - openff-qcsubmit
@@ -23,7 +23,7 @@ dependencies:
     - rich
     - jax
     - dgl
-    - nglview>=3.0.6
+    - nglview>=3.0.6,<3.1.0
     - xtb-python
     - pdbfixer
     - mdtraj

source/workshops/2024/smirnoff/colab-env.yml

@@ -5,14 +5,12 @@ The OpenFF software ecosystem is a flexible and highly programmable collection o
 This workshop will display this flexibility by demonstrating a variety of unusual uses of the OpenFF ecosystem and its software neighbors. These "vignettes" will run the gamut from useful to cute, robust to experimental, and simple to complex. Rather than focus on the details of how each is accomplished, vignettes will each be demonstrated quickly alongside a brief highlight of the relevant part of the ecosystem. In the hands-on session after the prepared material, participants will be encouraged to investigate a thorny problem of their own with developer support.
 
 First session
-: [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)
+: [Mar 12 2024 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)
 
 Second session
-: [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)
+: [Apr 24 2024 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)
 
-: [💨 Join on Zoom](https://us06web.zoom.us/j/87885784973?pwd=gnIHcbboXbxdopbG3OBb9kyoUKUYLr.1)
-
-Zoom links will be published here 24 hours before the sessions begin.
+Materials and Google Colab links can be found below.
 
 ## Workshop Materials
 

source/workshops/2024/smirnoff/env.yml

@@ -6,7 +6,7 @@ dependencies:
     - ipywidgets=7.6.0
     # Examples
     - openff-toolkit-examples >=0.16.0
-    - openff-interchange >=0.3.25
+    - openff-interchange >=0.3.27
     - openff-nagl >=0.3.7
     - openff-bespokefit
     - openff-forcefields >= 2024.04.0