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Integrate lbann moses#63

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wderekjones wants to merge 23 commits intomolecularsets:mastermolecularsets/moses:masterfrom samadejacobs:integrate_lbann_mosessamadejacobs/moses:integrate_lbann_mosesCopy head branch name to clipboard

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Commits on Apr 2, 2019

• Extend JTNNVAE to support WAE,users have the choice of VAE or WAE in for the latent space

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• Extend JTNNVAE to support WAE,users have the choice of VAE or WAE in for the latent space

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Commits on Oct 16, 2019

• Extend CharRNN to load LBANN trained models

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• Fix typos

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• fix typos, import numpy etc

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Commits on Oct 17, 2019

• add vocab and config for char RNN

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Commits on Oct 18, 2019

• More clean up and strict check

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Commits on Nov 22, 2019

• adds preprocessing script to featurize arbitrary smiles datasets. makes minor changes to run.py and sample.py that allow for the specification of arbitrary datasets and vocabs, also minor changes t…

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Commits on Nov 25, 2019

• adding support for TF 2.0 to moses/metrics/utils_fcd.py

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Commits on Feb 29, 2020

• adding utilities to preprocess arbitrary datasets, both python and slurm scripts

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Commits on Mar 21, 2020

• adding scripts to prepare datasets

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Commits on Mar 25, 2020

• addressing issues related to structure of example slurm data processing script (scripts/extract_enamine_vocab.sl), evalutation script (scripts/run.py), vocab extraction (scripts/char_vocab_utils.py…

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Commits on Mar 30, 2020

• Merge pull request #1 from samadejacobs/integrate_lbann_moses

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Commits on Jun 26, 2020

• Update model in response to changes in LBANN naming of dumping weights

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Commits on Jul 14, 2020

• Make epoch count optional especially if loading 'final' model, one less arguments to worry about

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Commits on Aug 20, 2020

• Support for loading pretrained LBANN VAE model

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• Code clean up

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• Add small version of Zinc train and test data

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• Add ckpt for zinc10K

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Commits on Aug 24, 2020

• adding some utility scripts for sampling from lbann models, some reformatting was done, some functions such as the moses/char_rnn/model.py were tweaked to allow for more general functionality

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Commits on Aug 25, 2020

• fixed some merge conflicts in the rnn load lbann weights function and the moses sample.py script that was due to simple formatting difference

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Commits on Sep 9, 2020

• updating VAE model with encode_smiles method

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Commits on Sep 30, 2020

• updating to inclue latent space sampling experiments and prepare for merging back into my fork then submitting PR to master on sams fork

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