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Commits on Nov 20, 2024

• Updated the tutorial 1

  miemiemmmm

  committed
  6aee701

Commits on Nov 15, 2024

• Redirected the README installation guide to ReadTheDocs

  miemiemmmm

  committed
  90a039b

• Separated the enclosed data; Finished the quick start documentation.

  miemiemmmm

  committed
  4ad18aa

Commits on Nov 14, 2024

• Updated the installation guide.

  miemiemmmm

  committed
  fe46694

• Resolved the problems during documentation building process

  miemiemmmm

  committed
  5fb59f0

Commits on Nov 12, 2024

• Cleaned the data directory in project root

  miemiemmmm

  committed
  525c938

• Clean the directory

  miemiemmmm

  committed
  0072bce

Commits on Nov 6, 2024

• Updated the READMD and start cleaning the code for publication.

  miemiemmmm

  committed
  b0397fb

Commits on Sep 4, 2024

• Fixed the label feature matching and added the simple discretization

  miemiemmmm

  committed
  362af99

Commits on Sep 2, 2024

• Modified some benchmarking models; Updated the training scripts.

  miemiemmmm

  committed
  323040a

Commits on Aug 21, 2024

• Updated more supports in the trajectory loader. Did tests on static structures and misato trajectories.

  miemiemmmm

  committed
  bd93d01

Commits on Aug 17, 2024

• cleaned some redundant c++/bash files

  miemiemmmm

  committed
  ce46772

Commits on Jul 8, 2024

• Updated the models and featurizer

  miemiemmmm

  committed
  3ef878b

Commits on Jun 28, 2024

• Updated the documentations.

  miemiemmmm

  committed
  ade0a3a

Commits on Apr 29, 2024

• Changed README from md to rst and added primary doc.

  miemiemmmm

  committed
  592d710

Commits on Apr 26, 2024

• Updated the doc strings; Updated the structure of models

  miemiemmmm

  committed
  07b21e0

Commits on Apr 22, 2024

• Added the first draft joss paper and preliminary ReadTheDocs documentation.

  miemiemmmm

  committed
  a1180d3

Commits on Apr 15, 2024

• Added the first draft of the software note.

  miemiemmmm

  committed
  acc7060

Commits on Apr 14, 2024

• Added selection to base Feature class. Initialized the paper writing.

  miemiemmmm

  committed
  130082f

Commits on Apr 11, 2024

• Added the scripts to perform simple training tests

  miemiemmmm

  committed
  a39e0c8

Commits on Mar 30, 2024

• Added more 3DCNN based models. Updated the data loader. Tested the production of Misato trajectory features.

  miemiemmmm

  committed
  5802d02

Commits on Mar 26, 2024

• Added full set of features and aggregation/observation functions. Added primary models of pafnucy, deeprank, and kdeep.

  miemiemmmm

  committed
  e5a1c08

Commits on Mar 21, 2024

• Updated the static/dynamic features and performed primitive tests

  miemiemmmm

  committed
  e0c6e98

Commits on Mar 20, 2024

• Formalized the feature structures and did com primary test on the featurizer.

  miemiemmmm

  committed
  cf309b8

Commits on Mar 11, 2024

• Updated the workflow

  miemiemmmm

  committed
  d57da6d

Commits on Mar 5, 2024

• Update python-package.yml

  miemiemmmm

  authored
  22c7996

• Update python-package.yml

  miemiemmmm

  authored
  5853c2e

• Updated the structure of package and workflow.

  miemiemmmm

  committed
  d922362

Commits on Mar 4, 2024

• Added test script for the actions

  miemiemmmm

  committed
  bd519de

• Added different functions to all actions module.

  miemiemmmm

  committed
  98fdf23

Commits on Mar 1, 2024

• Adjusted the script structures.

  miemiemmmm

  committed
  a8e90d6

• Added primitive marching observers algorithm

  miemiemmmm

  committed
  12fc68b

Commits on Feb 28, 2024

• Started to slim the Nearl project

  miemiemmmm

  committed
  e2bd14b

Commits on Oct 18, 2023

• Tested with neural network to classify the residue features.

  miemiemmmm

  committed
  2216787

Commits on Oct 14, 2023

• Added the small training on single residue

  miemiemmmm

  committed
  82008f4

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