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Commits on May 27, 2020

• Workaround for kekule.js messing up DOMReady on FF

  Lanny

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Commits on May 25, 2020

• Fixed bad arg name and don't fail edit SMILES requests with now SMILES str provided

  Lanny

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Commits on May 24, 2020

• Button to edit selected chem for search, and changed from orbit controls to trackball.

  Lanny

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Commits on May 11, 2020

• Break long smiles strings.

  Lanny

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• Don't hardcode search and chem editor urls anymore.

  Lanny

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Commits on Mar 15, 2020

• Integrated editor.

  Lanny

  committed
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• Added icons/buttons to search.

  Lanny

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Commits on Mar 14, 2020

• Added UI for search.

  Lanny

  committed
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• Jank iterative sim search.

  Lanny

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• Added kekule editor, no integration with space viewer yet.

  Lanny

  committed
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Commits on Feb 23, 2020

• Allow scene to change aspect ratio on resize.

  Lanny

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Commits on Feb 12, 2020

• Add description field on create chem set page.

  Lanny

  committed
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• Fixed issue with failing jobs failing forever.

  Lanny

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• Added description field to chemical sets.

  Lanny

  committed
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• s/sim measure/similarity measure/

  Lanny

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Commits on Feb 1, 2020

• Explain the anaconda option and update debian install process.

  Lanny

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• Add image to README.

  Lanny

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Commits on Jan 3, 2020

• Spruced up the index page just a bit.

  Lanny

  committed
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• Prevent creation of duplicate jobs if a pending job exists.

  Lanny

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• Added some table styling and incomplete jobs table.

  Lanny

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Commits on Dec 16, 2019

• Added some more detail to the readme.

  Lanny

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Commits on Dec 15, 2019

• Added nav and made the whole thing a little prettier.

  Lanny

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• Updated paper with ISOMAP

  Lanny

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Commits on Dec 11, 2019

• Added ISOMAP embedding.

  Lanny

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Commits on Dec 10, 2019

• Grammatical corrections to the paper.

  Lanny

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Commits on Dec 9, 2019

• Wrote rest of the paper, not yet proofread.

  Lanny

  committed
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• Switch to pdflatex so images work.

  Lanny

  committed
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Commits on Dec 8, 2019

• Tie tags to chemsets at creation and only include those tags when passing to UI.

  Lanny

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Commits on Dec 7, 2019

• Added Embedding Approaches section of paper.

  Lanny

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• Added Similarity Metrics section to the paper.

  Lanny

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• Fixed issue where selecting a chemical with an existing selection would change the color of the previous selection.

  Lanny

  committed
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• Fixed embarrassing mistake in chemsim computation.

  Lanny

  committed
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Commits on Dec 6, 2019

• Added start of the writeup and makefile for building it.

  Lanny

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• Compute max distance from origin in an embedding and use that to set initial camera parameters in space viewer.

  Lanny

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• Added ChemFormula component that got left out of a previous commit.

  Lanny

  committed
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