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Commits on Mar 11, 2021

• Update README.md

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• Add files via upload

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• small version of chembl dataset

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• removed duplicate folder

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Commits on Mar 10, 2021

• pretrained parameters for molecular rnn

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Commits on Mar 9, 2021

• Merge pull request Mariewelt#23 from Mariewelt/MolecularRNN_checkpoint

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• add molecular rnn pretrained parameters

  Mariewelt

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• pretrain molecular rnn

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Commits on Dec 21, 2020

• Merge pull request Mariewelt#21 from itisAliRH/master

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• Merge branch 'master' into master

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Commits on Nov 11, 2020

• small updates

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• Added decriptive error message for graph class

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• removed 3D from graph data layer

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• rempved 3D from graph data layer

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• removed 3D from graph data layer

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Commits on Nov 7, 2020

• removed non-working example

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• added data for melting point prediction example

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• Added CNN encoder for SMILES and melting point prediction example

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Commits on Nov 6, 2020

• Fixed tensorboard dependency

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• fixed tensorboard dependency

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• Made lr scheduler an optional parameter in model config

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Commits on Nov 4, 2020

• Updated docs

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• Updated docs

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• Merge branch 'master' of https://github.com/Mariewelt/OpenChem

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• Updated docs

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• Updated docs

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  75a52cc

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• Updated docs

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• Update README.md

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• Update README.md

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• Update README.md

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  c7a8ed5

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• Updated docs

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• Updated docs

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• updated documentation

  Mariewelt

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  3dedbe0

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• updated multilayer perceptron example and feature data layer

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• fixes for multi-gpu

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