Commits

Branch selector

 master

User selector

All users

Datepicker

All time

Commit History

Commits on Sep 1, 2022

• doc: use bibtex for citation

  linminhtoo

  committedSep 1, 2022
  d17810a

Commits on Aug 27, 2022

• Merge pull request #4 from LaHauzel/master

  linminhtoo

  committedAug 27, 2022
  eaec609

Commits on Aug 22, 2022

• generate reactants by rdkit code

  LaHauzel

  committedAug 22, 2022
  54d5b96

Commits on Mar 16, 2022

• feat: add license

  linminhtoo

  committedMar 16, 2022
  22b9ea2

Commits on May 28, 2021

• update README

  linminhtoo

  committedMay 28, 2021
  3ec5b17

Commits on May 26, 2021

• Fix templateNN_Highway

  linminhtoo

  committedMay 26, 2021
  338533d

• Update README.md

  linminhtoo

  committedMay 26, 2021
  1aeaf62

• Update README.md

  linminhtoo

  committedMay 26, 2021
  a2c0d82

Commits on Apr 25, 2021

• update scripts

  linminhtoo

  committedApr 25, 2021
  cb6177e

Commits on Apr 24, 2021

• Update README, add scripts

  linminhtoo

  committedApr 24, 2021
  5af95b0

Commits on Feb 25, 2021

• Fix typo

  linminhtoo

  committedFeb 25, 2021
  3f512ba

Commits on Feb 23, 2021

• Delete data/archive directory

  linminhtoo

  committedFeb 23, 2021
  0def0ed

• Fix files

  linminhtoo

  committedFeb 23, 2021
  ea9951f

• Remove redundant data files

  linminhtoo

  committedFeb 23, 2021
  b5384c6

• Minor bug

  linminhtoo

  committedFeb 23, 2021
  f5ee799

• inference all working now

  linminhtoo

  committedFeb 23, 2021
  47a865d

• infer_one is done, infer_all is debugged

  linminhtoo

  committedFeb 23, 2021
  726b247

• infer_all done

  linminhtoo

  committedFeb 23, 2021
  4a9c909

• Update README

  linminhtoo

  committedFeb 23, 2021
  166adf4

• Add saved model, update README

  linminhtoo

  committedFeb 23, 2021
  47b8ad1

• Update README

  linminhtoo

  committedFeb 23, 2021
  c1f4b03

• Add data files (~100 MB)

  linminhtoo

  committedFeb 23, 2021
  e93cf08

• Mask training rxn_smi w/ invalid template. Working on inference now

  linminhtoo

  committedFeb 23, 2021
  81b82a1

• Added multiple top-k

  linminhtoo

  committedFeb 23, 2021
  4c495bc

Commits on Feb 19, 2021

• Fixed test loss. Got 39% top-1 val/test

  linminhtoo

  committedFeb 19, 2021
  dd2ee3a

• Dont cano template, fixed initial template issue, but recall is still very bad, need to fix

  linminhtoo

  committedFeb 19, 2021
  5581df7

Commits on Feb 10, 2021

• Prepare_data is highly optimized now + Bug in label generation fixedrm checkpoint/*rm checkpoint/*! use of imap not imap_unordered

  linminhtoo

  committedFeb 10, 2021
  f1078f6

• variance thresholding is much faster now

  linminhtoo

  committedFeb 10, 2021
  e49e6d9

• Added parallelization using pool.imap to greatly speed up fp generation/processing. Variance index collection is VERY slow

  linminhtoo

  committedFeb 10, 2021
  6b491f3

• Thresholding pipeline should be good to go

  linminhtoo

  committedFeb 10, 2021
  5712292

• Fixed some bugs; but training seems bugged. Need to change label creation pipeline

  linminhtoo

  committedFeb 10, 2021
  3934934

• Training is fully functional now. Not sure if there are bugs

  linminhtoo

  committedFeb 10, 2021
  a565c48

Commits on Feb 9, 2021

• Training & testing code done for a start

  linminhtoo

  committedFeb 9, 2021
  77d3aa1

Commits on Feb 8, 2021

• Minor bug in prepare_data to handle invalid template. Starting to finalize training code

  linminhtoo

  committedFeb 8, 2021
  ec43b21

• Fix bug in template_idx: cant use 9999 for None since template_count >9999

  linminhtoo

  committedFeb 8, 2021
  14fb34f

Pagination

PreviousNext