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Commits on Mar 2, 2023

• added support for .cif in load_dataset

  awfderry

  committed
  4c2f3b7

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Commits on Feb 24, 2023

• use ubuntu-20.04 to run tests with python 3.6

  awfderry

  committed
  68681ea

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• fix issue with dataframe reading with pkl; add ent.gz datatype

  awfderry

  committed
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Commits on Jul 20, 2022

• v0.2.6

  

  Raphael Townshend

  committed
  b68dce9

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• Re-enable rosetta in make_dataset

  

  Raphael Townshend

  committed
  c9e1767

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Commits on Jul 19, 2022

• Bugfix find command when spaces in filepath

  

  Raphael Townshend

  committed
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• v0.2.5

  

  Raphael Townshend

  committed
  60cd14a

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• Bugfix scop.py for python 3.8

  

  Raphael Townshend

  committed
  6633999

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• Update tox.ini so can run multiple versions of python

  

  Raphael Townshend

  committed
  e797425

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Commits on Jul 5, 2022

• Remove del file path in PSR prepare lmdb

  psuriana

  authored
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Commits on Jan 15, 2022

• remove old plot functions

  awfderry

  committed
  463c2ca

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• fix GNN evaluation bug; issues #41 #45

  awfderry

  committed
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Commits on Dec 30, 2021

• bugfix

  martinvoegele

  authored
  8887392

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• add function to write LMDB as PDB files

  martinvoegele

  authored
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Commits on Sep 15, 2021

• Sort find_files output by name

  psuriana

  committed
  7eacb67

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Commits on Sep 3, 2021

• Update README.rst

  martinvoegele

  authored
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Commits on Aug 25, 2021

• update model training docs

  awfderry

  committed
  42140c4

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• update test data for training example + basic graph transform

  awfderry

  committed
  4d52b2b

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Commits on Aug 24, 2021

• fix RES link in download_datasets

  awfderry

  committed
  54603e5

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Commits on Aug 19, 2021

• Update README.rst

  martinvoegele

  authored
  d8ee234

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• readme for 3D-CNN training on LBA

  martinvoegele

  committed
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Commits on Aug 18, 2021

• Update README.md

  martinvoegele

  authored
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Commits on Aug 14, 2021

• doc strings for metrics

  martinvoegele

  committed
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Commits on Aug 12, 2021

• git ignore model output

  martinvoegele

  committed
  eaab968

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• eval for ENN on RES

  martinvoegele

  committed
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Commits on Aug 8, 2021

• Update conf.py

  martinvoegele

  authored
  3411cf1

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• Update LICENSE

  martinvoegele

  authored
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Commits on Aug 7, 2021

• Update requirements.txt

  martinvoegele

  authored
  183128e

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• Update conf.py

  martinvoegele

  authored
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Commits on Aug 2, 2021

• Remove c++ code

  

  Raphael Townshend

  committed
  da1a7cf

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• move dataset-specific code to examples

  martinvoegele

  committed
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Commits on Aug 1, 2021

• Add missing import

  

  Raphael Townshend

  committed
  c67c392

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• Remove ensemble WIP.

  

  Raphael Townshend

  committed
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Commits on Jul 30, 2021

• recompile docs

  martinvoegele

  committed
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• Update README.md

  martinvoegele

  authored
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