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Commits on Nov 6, 2024

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

  miemiemmmm

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Commits on Sep 4, 2024

• Fixed the label feature matching and added the simple discretization

  miemiemmmm

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Commits on Sep 2, 2024

• Modified some benchmarking models; Updated the training scripts.

  miemiemmmm

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Commits on Aug 21, 2024

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

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Commits on Aug 17, 2024

• cleaned some redundant c++/bash files

  miemiemmmm

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Commits on Jul 8, 2024

• Updated the models and featurizer

  miemiemmmm

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Commits on Jun 28, 2024

• Updated the documentations.

  miemiemmmm

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Commits on Apr 26, 2024

• Updated the doc strings; Updated the structure of models

  miemiemmmm

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Commits on Apr 15, 2024

• Added the first draft of the software note.

  miemiemmmm

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Commits on Apr 14, 2024

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

  miemiemmmm

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Commits on Apr 11, 2024

• Added the scripts to perform simple training tests

  miemiemmmm

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Commits on Mar 30, 2024

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

  miemiemmmm

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Commits on Mar 20, 2024

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

  miemiemmmm

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Commits on Mar 5, 2024

• Updated the structure of package and workflow.

  miemiemmmm

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Commits on Mar 4, 2024

• Added different functions to all actions module.

  miemiemmmm

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Commits on Mar 1, 2024

• Adjusted the script structures.

  miemiemmmm

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• Added primitive marching observers algorithm

  miemiemmmm

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Commits on Feb 28, 2024

• Started to slim the Nearl project

  miemiemmmm

  committed
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Commits on Oct 18, 2023

• Tested with neural network to classify the residue features.

  miemiemmmm

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Commits on Oct 14, 2023

• Added the small training on single residue

  miemiemmmm

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Commits on Oct 6, 2023

• Added the gpu code to measure cosine similarity

  miemiemmmm

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Commits on Sep 27, 2023

• Added ICP algorithm and optmized the dask computation efficency in HPC

  miemiemmmm

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Commits on Sep 20, 2023

• Added ICP modules

  miemiemmmm

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Commits on Sep 13, 2023

• Added the support for different viewpoint mode.

  miemiemmmm

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Commits on Sep 5, 2023

• Optimized the mamba installation and environment creating process. updated the READMD.md

  miemiemmmm

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Commits on Sep 4, 2023

• Modify the fingerprint generator

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Commits on Aug 28, 2023

• Re-organized the package utils, io; Separated the GPU/CPU code a bit.

  miemiemmmm

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Commits on Aug 24, 2023

• Added the script to create environment via mamba

  miemiemmmm

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• Updated the Github Action workflow and depends on mamba for more efficient execution

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Commits on Aug 23, 2023

• Update create_env.sh

  miemiemmmm

  authored
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• Update create_env.sh to mlenv

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Commits on Aug 21, 2023

• Added the script to build the python package in a script

  miemiemmmm

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• Changed the package organization structures

  miemiemmmm

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Commits on Aug 17, 2023

• Checked the interpolated data; Optimized the Data IO and featurization. Added GPU accelerated interpolation code.

  miemiemmmm

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Commits on Aug 7, 2023

• Added the new C++ method interpolation and grid rasterization

  miemiemmmm

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