Minys

Minor revision about example scripts

1

I noticed in example code, some argument are inconsistent in the commented parts, such as lines in `examples/molnet/train_molnet.py`: https://github.com/chainer/chainer-chemistry/blob/56e83dedb5de9dc9eb08ebf292be9ba76a4883ba/examples/molnet/train_molnet.py#L267-L274 `args.gpu` and `concat_mols` are not consistent with other codes and will...

Random seed is useless in get_molnet_dataset function

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In this function, although there is a `seed=777` argument in the signature like this. https://github.com/chainer/chainer-chemistry/blob/56e83dedb5de9dc9eb08ebf292be9ba76a4883ba/chainer_chemistry/datasets/molnet/molnet.py#L24-L28 But it's never passed to any splitter, in the same function, the splitter is called...

Data availability

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Great work guys! I'm re-implementing this seq2seq model, but somehow I'm facing issues about data used in the paper. In the original paper, the seq2seq model is trained with the...

Command throw errors in scripts/flatten_roda.sh

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I downloaded the roda `pdb` subdir, with the following command ```bash aws s3 cp --no-sign-request 's3://openfold/pdb' ./pdb --recursive ``` Then, following the readme, I ran the `scripts/flatten_roda.sh` and it keep...