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Commits on Jan 21, 2023

• automate untar

  szaman19

  committed
  3a92b7f

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• Added readme

  szaman19

  committed
  0642dd3

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• Updating data gathering scripts

  szaman19

  committed
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Commits on Jun 10, 2021

• Bump urllib3 from 1.25.6 to 1.26.5 (szaman19#14)

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  dependabot[bot]

  authored
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• Add updated GAN and dataset

  kmecpp

  committed
  f1b0431

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• Add rotation and scaling code

  kmecpp

  committed
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Commits on Apr 2, 2021

• Add Henry's constant code

  kmecpp

  committed
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• Add periodic padding

  kmecpp

  committed
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Commits on Mar 19, 2021

• Added discretization from grid back to list of coordinates

  szaman19

  committed
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Commits on Oct 23, 2020

• Added Musen Zhao's property calculations for MOFs

  szaman19

  committed
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Commits on Sep 30, 2020

• Updated dataloader

  

  Shehtab Zaman

  committed
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Commits on Sep 11, 2020

• Added testing code for MOFGCN

  szaman19

  committed
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Commits on Sep 10, 2020

• Added testing code for MOFGCN

  szaman19

  committed
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Commits on Sep 4, 2020

• Addin model.py

  szaman19

  committed
  350b2aa

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• Updated model.py and mof runner ntebook

  szaman19

  committed
  60ff78c

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• Added MOF network model

  szaman19

  committed
  180a311

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• Updated MOLGCN.py

  szaman19

  committed
  2fec9e5

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• Adding MOLGCN partial implementation

  szaman19

  committed
  38e81f0

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• Adding MOF Force Field Code

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  szaman19

  committed
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• DataLoader for GCNN (szaman19#10)

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  jbarks1234

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  szaman19

  authored
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Commits on Aug 28, 2020

• Added Voxel Location code

  szaman19

  committed
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Commits on Aug 26, 2020

• Adding generation directory

  szaman19

  committed
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Commits on Aug 14, 2020

• Added function approximator example

  szaman19

  committed
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Commits on Aug 13, 2020

• Adding auto eoncoder

  

  Shehtab Zaman

  committed
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Commits on Aug 12, 2020

• Update README.md

  szaman19

  authored
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Commits on Apr 20, 2020

• Updated voxel mof database to seperate out grids and locations

  

  Shehtab Zaman

  committed
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Commits on Apr 11, 2020

• Could not figure out relatice imports on python and didn't want to waste time. Will be on the todo list for later. Currently just having files copied over.

  szaman19

  committed
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• Adding 3d-cnn forward pass data

  szaman19

  committed
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Commits on Apr 6, 2020

• Added visualization and VAE code

  szaman19

  committed
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Commits on Apr 1, 2020

• Add MOFGan

  kmecpp

  committed
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Commits on Mar 31, 2020

• Pushing updates from local machine

  szaman19

  committed
  12013b6

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• Merge pull request szaman19#9 from szaman19/szaman19-patch-1

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  szaman19

  authored
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• Add mof data set

  kmecpp

  committed
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• Update GAN.py

  szaman19

  authored
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Commits on Mar 30, 2020

• Added example of MOF in voxel representation. .vmf file generated with bz2 and pickle. So much be opened with bz2 and pickle

  szaman19

  committed
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