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run deepmind/alphafold_casp13 - work to predict 3 d protein structure in gitpod #1523

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geet2019 opened this issue May 17, 2020 · 2 comments
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meta: stale This issue/PR is stale and will be closed soon

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@geet2019
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this is the link to the file: https://github.com/geet2019/deepmind-research/tree/master/alphafold_casp13 how can I download the dataset and where I can save it.

https://github.com/geet2019/deepmind-research/blob/master/alphafold_casp13/run_eval.sh

Run contact prediction over 4 replicas.

for replica in 0 1 2 3; do
echo "Launching all models for replica ${replica}"
I tried to run these commands from the shell is it possible to do so.

Run the distogram model.

python3 -m alphafold_casp13.contacts
--logtostderr
--cpu=true
--config_path="${DISTOGRAM_MODEL}/${replica}/config.json"
--checkpoint_path="${DISTOGRAM_MODEL}/${replica}/tf_graph_data/tf_graph_data.ckpt"
--output_path="${OUTPUT_DIR}/distogram/${replica}"
--eval_sstable="${TARGET_PATH}/${TARGET}.tfrec"
--stats_file="${DISTOGRAM_MODEL}/stats_train_s35.json" &

WHERE I CAN SEE THE OUTPUT:-
WHERE I NEED TO EXECUTE IT:-
WHEN I AM TRYING TO EXECUTE EACH.PY EXTENSION SEPARATELY. IT IS ASKING FOR SEPARATE INSTALLATION FOR PACKAGES EVEN THOUGH IT INSTALL THOSE PACKAGES IT IS NOT WORKING WHY? HOW CAN I RESOLVE IT

@Kreyren
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Kreyren commented May 18, 2020

From a quick look i would start by opening https://gitpod.io/#https://github.com/geet2019/deepmind-research/tree/master/alphafold_casp13 and then executing your expected payload there?

also FWIW this https://github.com/geet2019/deepmind-research/blob/master/alphafold_casp13/run_eval.sh seems as shell malware assuming lack of quality assurance as shown on https://shellcheck.net/?id=cb87671 and manipulation with eval, see https://mywiki.wooledge.org/BashFAQ/048

@stale
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stale bot commented Oct 4, 2020

This issue has been automatically marked as stale because it has not had recent activity. It will be closed if no further activity occurs. Thank you for your contributions.

@stale stale bot added the meta: stale This issue/PR is stale and will be closed soon label Oct 4, 2020
@stale stale bot closed this as completed Mar 19, 2021
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