{"action":"created","issue":{"url":"https://api.github.com/repos/deepchem/deepchem/issues/1179","repository_url":"https://api.github.com/repos/deepchem/deepchem","labels_url":"https://api.github.com/repos/deepchem/deepchem/issues/1179/labels{/name}","comments_url":"https://api.github.com/repos/deepchem/deepchem/issues/1179/comments","events_url":"https://api.github.com/repos/deepchem/deepchem/issues/1179/events","html_url":"https://github.com/deepchem/deepchem/issues/1179","id":308280996,"number":1179,"title":"Tutorial for Running Atomic Convolutions (ACNNs)","user":{"login":"rbharath","id":1057676,"avatar_url":"https://avatars3.githubusercontent.com/u/1057676?v=4","gravatar_id":"","url":"https://api.github.com/users/rbharath","html_url":"https://github.com/rbharath","followers_url":"https://api.github.com/users/rbharath/followers","following_url":"https://api.github.com/users/rbharath/following{/other_user}","gists_url":"https://api.github.com/users/rbharath/gists{/gist_id}","starred_url":"https://api.github.com/users/rbharath/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/rbharath/subscriptions","organizations_url":"https://api.github.com/users/rbharath/orgs","repos_url":"https://api.github.com/users/rbharath/repos","events_url":"https://api.github.com/users/rbharath/events{/privacy}","received_events_url":"https://api.github.com/users/rbharath/received_events","type":"User","site_admin":false},"labels":[{"id":787108243,"url":"https://api.github.com/repos/deepchem/deepchem/labels/Contribution%20Welcome","name":"Contribution Welcome","color":"38d8a0","default":false},{"id":768465739,"url":"https://api.github.com/repos/deepchem/deepchem/labels/Good%20First%20Contribution","name":"Good First Contribution","color":"801df9","default":false}],"state":"open","locked":false,"assignee":null,"assignees":[],"milestone":null,"comments":3,"created_at":"2018-03-24T17:12:51Z","updated_at":"2018-05-19T13:49:06Z","closed_at":null,"author_association":"MEMBER","body":"We currently lack a tutorial for running atomic convolutions. Here's some of the material it would be good to cover in such a tutorial:\r\n\r\n- Introduce the basic structure of the Atomic Conv model. The code for this model is here: https://github.com/deepchem/deepchem/blob/master/deepchem/models/tensorgraph/models/atomic_conv.py. \r\n- Create an IPython notebook in https://github.com/deepchem/deepchem/tree/master/examples/notebooks for the atomic conv tutorial. This notebook can be modeled on https://deepchem.io/docs/notebooks/protein_ligand_complex_notebook.html, but with ACNNs rather than grid fingerprints.\r\n- The tutorial should featurize a selection of the pdbbind dataset and train a simple ACNN model. You might find the code in https://github.com/deepchem/deepchem/tree/master/contrib/atomicconv useful."},"comment":{"url":"https://api.github.com/repos/deepchem/deepchem/issues/comments/390406163","html_url":"https://github.com/deepchem/deepchem/issues/1179#issuecomment-390406163","issue_url":"https://api.github.com/repos/deepchem/deepchem/issues/1179","id":390406163,"user":{"login":"nitinprakash96","id":15181803,"avatar_url":"https://avatars2.githubusercontent.com/u/15181803?v=4","gravatar_id":"","url":"https://api.github.com/users/nitinprakash96","html_url":"https://github.com/nitinprakash96","followers_url":"https://api.github.com/users/nitinprakash96/followers","following_url":"https://api.github.com/users/nitinprakash96/following{/other_user}","gists_url":"https://api.github.com/users/nitinprakash96/gists{/gist_id}","starred_url":"https://api.github.com/users/nitinprakash96/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/nitinprakash96/subscriptions","organizations_url":"https://api.github.com/users/nitinprakash96/orgs","repos_url":"https://api.github.com/users/nitinprakash96/repos","events_url":"https://api.github.com/users/nitinprakash96/events{/privacy}","received_events_url":"https://api.github.com/users/nitinprakash96/received_events","type":"User","site_admin":false},"created_at":"2018-05-19T13:49:06Z","updated_at":"2018-05-19T13:49:06Z","author_association":"MEMBER","body":"Hi @rbharath sorry I've been caught up with exams and semester project reports. So took a little late to implement this. But its over now and I can start writing this tutorial.\r\nJust to get my doubt cleared, I wrote the structure of ACNN as described by the paper(I thought it explained the best). And as for the featurization, how exactly do we need to present the tutorial? I mean the featurization part?"}}
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