Code

Skypilot upgrade to Main#56

Code

Merged

brian316 merged 117 commits intomainacceleratedscience/open-ad-toolkit:mainfrom skypilot_upgradeacceleratedscience/open-ad-toolkit:skypilot_upgradeCopy head branch name to clipboardJul 26, 2024

+50,078-22,713

Commits

Commits on Jan 30, 2024

• Basic persistent GUI server prototype in separate thread

  themoenen

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• Added install and launch gui commands

  themoenen

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Commits on Jan 31, 2024

• gui api

  themoenen

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Commits on Feb 7, 2024

• gui api updates

  themoenen

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Commits on Feb 22, 2024

• Added GUI api endpoints

  

  Moenen Erbuer

  committed
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• Remove openad-gui files from git

  

  Moenen Erbuer

  committed
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Commits on Feb 25, 2024

• stash

  

  Moenen Erbuer

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• stash laptop

  themoenen

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• stash

  themoenen

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Commits on Feb 26, 2024

• demo prototype

  

  Moenen Erbuer

  committed
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Commits on Feb 28, 2024

• stash

  

  Moenen Erbuer

  committed
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• switch workspace GUI API

  themoenen

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Commits on Feb 29, 2024

• Added hydrogen atoms to 3d coordinates data

  themoenen

  committed
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Commits on Mar 5, 2024

• Websocket experiment

  

  Moenen Erbuer

  committed
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• Merge branch 'gui_api_moe' of https://github.com/acceleratedscience/open-ad-toolkit into gui_api_moe

  

  Moenen Erbuer

  committed
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Commits on Mar 7, 2024

• created filesystem worker and refactored 'list files' command to use the same method as the GUI api, plus added optional path parameter

  

  Moenen Erbuer

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Commits on Mar 12, 2024

• Refactored fs_get_file and fs_get_workspace files to follow similar data structure and moved fileType logic to backend

  

  Moenen Erbuer

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Commits on Mar 15, 2024

• stash

  

  Moenen Erbuer

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Commits on Mar 18, 2024

• Before removing index_only functionality from get_molset()

  

  Moenen Erbuer

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Commits on Mar 19, 2024

• Indexing done right wip

  

  Moenen Erbuer

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• Stash

  

  Moenen Erbuer

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Commits on Mar 21, 2024

• stash before refactoring molset fs/cache reading

  

  Moenen Erbuer

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Commits on Mar 22, 2024

• sdf processing + api refactor

  

  Moenen Erbuer

  committed
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• added 'enriched' parameter to molecule object

  

  Moenen Erbuer

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Commits on Mar 25, 2024

• fixed list files

  

  Moenen Erbuer

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Commits on Mar 26, 2024

• Removed old messy molecule API functions

  

  Moenen Erbuer

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Commits on Mar 27, 2024

• implemented reverse sort

  

  Moenen Erbuer

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• Support for invalid file paths and smiles in .smi files

  

  Moenen Erbuer

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Commits on Apr 8, 2024

• stash

  

  Moenen Erbuer

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Commits on Apr 9, 2024

• various

  

  Moenen Erbuer

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Commits on Apr 10, 2024

• cleanup & debugging

  

  Moenen Erbuer

  committed
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Commits on Jul 11, 2024

• Mega commit regarding persistent GUI updates

  

  Moenen Erbuer

  committed
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• RXN login error message update

  

  Phil Downey

  committed
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• updated grammar in models to allow auth_group and service name without quotes

  

  Phil Downey

  committed
  cdc5720

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• Merged conflicts

  

  Moenen Erbuer

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• Merged conflicts #2

  

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• fix for unspported PDF viewing

  

  Moenen Erbuer

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• changed host for flask apps to 0.0.0.0

  

  Phil Downey

  committed
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• changed host for flask apps to 0.0.0.0 port 5005 starter

  

  Phil Downey

  committed
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Commits on Jul 12, 2024

• cleaned up molecules

  

  Phil Downey

  committed
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Commits on Jul 15, 2024

• adding auth group to catalog model service

  

  Phil Downey

  committed
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• adding auth group to catalog model service

  

  Phil Downey

  committed
  b8b2f16

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• fix opena api session management

  

  Phil Downey

  committed
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• fix openad rxn api session management

  

  Phil Downey

  committed
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• fix openad rxn api session management

  

  Phil Downey

  committed
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• fix openad rxn api session management

  

  Phil Downey

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• fix openad rxn api session management

  

  Phil Downey

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• fix openad rxn api session management

  

  Phil Downey

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• fix openad rxn api session management

  

  Phil Downey

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• fix openad rxn api session management

  

  Phil Downey

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• fix openad rxn api session management

  

  Phil Downey

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Commits on Jul 16, 2024

• fix openad rxn api session management

  

  Phil Downey

  committed
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• fix openad rxn api session management

  

  Phil Downey

  committed
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• fix openad rxn api session management

  

  Phil Downey

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• fix openad rxn api session management

  

  Phil Downey

  committed
  0e74056

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• fine tune jupyter install

  

  Phil Downey

  committed
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• install update

  

  Phil Downey

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• install update

  

  Phil Downey

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• install update

  

  Phil Downey

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• fix openad rxn api session management

  

  Phil Downey

  committed
  6569a4b

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• fix openad rxn api session management

  

  Phil Downey

  committed
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• Added command to show working set molecules

  

  Moenen Erbuer

  committed
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• stash

  

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• Merged persistent GUI

  

  Moenen Erbuer

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• Added openad-gui build folder

  

  Moenen Erbuer

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• stash show_molset

  

  Moenen Erbuer

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• Moved openad-gui folder inside openad folder so it is part of pip install, renamed to gui-build

  

  Moenen Erbuer

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• Added gui-build folder

  

  Moenen Erbuer

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• Move to port 0.0.0.0

  

  Moenen Erbuer

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• New place for the gui-build dir, updated to latest version

  

  Moenen Erbuer

  committed
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• show molset command + updated gui launch/shutdown messages

  

  Moenen Erbuer

  committed
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• Centralized duplicate normalize_mol_df and _smiles_to_iupac functions into mol_functions

  

  Moenen Erbuer

  committed
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• mymols fix

  

  Phil Downey

  committed
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Commits on Jul 17, 2024

• debugged dataviewer display and updated notebooks

  

  Phil Downey

  committed
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• debugged dataviewer display and updated notebooks

  

  Phil Downey

  committed
  bac58ea

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• enabled append for loading molecules

  

  Phil Downey

  committed
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• First step for command

  

  Moenen Erbuer

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• Remove icloud duplicate files

  

  Moenen Erbuer

  committed
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Commits on Jul 18, 2024

• formatting and fox new_molecule bug

  

  Phil Downey

  committed
  69c6fe0

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• merge properties bug

  

  Phil Downey

  committed
  d17057e

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• gui notebook and readme

  

  Moenen Erbuer

  committed
  d074b92

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• markdown test

  

  Moenen Erbuer

  committed
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• readme & gui demo

  

  Moenen Erbuer

  committed
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• gui readme update

  

  Moenen Erbuer

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Commits on Jul 19, 2024

• stash

  

  Moenen Erbuer

  committed
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• Support for display molecules from a dataframe

  

  Moenen Erbuer

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Commits on Jul 20, 2024

• stash

  

  Moenen Erbuer

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Commits on Jul 23, 2024

• prox server major upgrade and debug visuals

  

  Phil Downey

  committed
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• prox server major upgrade and debug visuals

  

  Phil Downey

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• prox server major upgrade and debug visuals

  

  Phil Downey

  committed
  45f0c02

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• stash

  

  Moenen Erbuer

  authored and

  Moenen Erbuer

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  3d54568

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• Undid renaming gui-build to gui-build-proxy

  

  Moenen Erbuer

  authored and

  Moenen Erbuer

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• paths for routes

  

  Phil Downey

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• acheived build

  

  Phil Downey

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• merge conflicts mergibg with gui_api_moe

  

  Moenen Erbuer

  authored and

  Moenen Erbuer

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• merge conflicts mergibg with gui_api_moe #2

  

  Moenen Erbuer

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  Moenen Erbuer

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• Merge conflicts #3

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• Merge conflicts #3

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• Merge wrapup

  themoenen

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• Simplified/cleaned up JL_PROXY proxy code in gui_launcher

  themoenen

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• Demo Notebook design

  themoenen

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• Simplified gui_launcher JL_PROXY code

  themoenen

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Commits on Jul 24, 2024

• patch launcher

  

  Phil Downey

  committed
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• notebook updates

  

  Phil Downey

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• stash

  themoenen

  committed
  11fdaf5

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• gui-build & gui-build-proxy wip

  themoenen

  committed
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• Successful build process for gui-build-proxy and gui_launcher.py cleanup

  themoenen

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• Updated gui build folders

  themoenen

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• Updated gui build folders

  themoenen

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  34d0e05

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• New gui build

  themoenen

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• notebook upgrade

  

  Phil Downey

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Commits on Jul 25, 2024

• fine tuning anf testing

  

  Phil Downey

  committed
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• fine tuning anf testing

  

  Phil Downey

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  80f043a

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• added warning for parameters in service call order

  

  Phil Downey

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• added warning for parameters in service call order

  

  Phil Downey

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• linter

  

  Phil Downey

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• readme fix

  

  Phil Downey

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