{"action":"created","issue":{"url":"https://api.github.com/repos/spoilt333/onco-aae/issues/1","repository_url":"https://api.github.com/repos/spoilt333/onco-aae","labels_url":"https://api.github.com/repos/spoilt333/onco-aae/issues/1/labels{/name}","comments_url":"https://api.github.com/repos/spoilt333/onco-aae/issues/1/comments","events_url":"https://api.github.com/repos/spoilt333/onco-aae/issues/1/events","html_url":"https://github.com/spoilt333/onco-aae/issues/1","id":242398476,"number":1,"title":"Couldn't find data files","user":{"login":"jat9292","id":29425574,"avatar_url":"https://avatars1.githubusercontent.com/u/29425574?v=4","gravatar_id":"","url":"https://api.github.com/users/jat9292","html_url":"https://github.com/jat9292","followers_url":"https://api.github.com/users/jat9292/followers","following_url":"https://api.github.com/users/jat9292/following{/other_user}","gists_url":"https://api.github.com/users/jat9292/gists{/gist_id}","starred_url":"https://api.github.com/users/jat9292/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/jat9292/subscriptions","organizations_url":"https://api.github.com/users/jat9292/orgs","repos_url":"https://api.github.com/users/jat9292/repos","events_url":"https://api.github.com/users/jat9292/events{/privacy}","received_events_url":"https://api.github.com/users/jat9292/received_events","type":"User","site_admin":false},"labels":[],"state":"closed","locked":false,"assignee":null,"assignees":[],"milestone":null,"comments":4,"created_at":"2017-07-12T14:24:07Z","updated_at":"2017-10-06T08:03:51Z","closed_at":"2017-07-26T14:48:34Z","author_association":"NONE","body":"Hello, please could you upload or at least put a link to find the 2 needed data files in order to run the code?\r\ni.e '/data/dumps/shuf.train.txt' and '/data/dumps/bitfpt.test.txt'\r\nThanks in advance."},"comment":{"url":"https://api.github.com/repos/spoilt333/onco-aae/issues/comments/334687115","html_url":"https://github.com/spoilt333/onco-aae/issues/1#issuecomment-334687115","issue_url":"https://api.github.com/repos/spoilt333/onco-aae/issues/1","id":334687115,"user":{"login":"sweetkurapika","id":18141622,"avatar_url":"https://avatars3.githubusercontent.com/u/18141622?v=4","gravatar_id":"","url":"https://api.github.com/users/sweetkurapika","html_url":"https://github.com/sweetkurapika","followers_url":"https://api.github.com/users/sweetkurapika/followers","following_url":"https://api.github.com/users/sweetkurapika/following{/other_user}","gists_url":"https://api.github.com/users/sweetkurapika/gists{/gist_id}","starred_url":"https://api.github.com/users/sweetkurapika/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/sweetkurapika/subscriptions","organizations_url":"https://api.github.com/users/sweetkurapika/orgs","repos_url":"https://api.github.com/users/sweetkurapika/repos","events_url":"https://api.github.com/users/sweetkurapika/events{/privacy}","received_events_url":"https://api.github.com/users/sweetkurapika/received_events","type":"User","site_admin":false},"created_at":"2017-10-06T08:03:51Z","updated_at":"2017-10-06T08:03:51Z","author_association":"NONE","body":".npy files are binary files, but @spoilt333  said : \r\n_lines in both train and test files looks like this:\r\nCC(C)[C@@H]([C@H](c1ccccc1I)OC)OC(=NC1CC2CCC1C2)O 0000000000000000000000100010000000000000000000000000000000000000000000010100010000000010001010010000000011100110000011100010010110001100001010011110110100011111111110_\r\n\r\nI think this makes it confusing for us, I wrote the following code for converting smiles to MACCS and save them according to what @spoilt333  said:\r\n\r\n```\r\nfrom rdkit import Chem\r\nfrom rdkit.Chem import MACCSkeys\r\ndef createMACCS(input_smi_file,output_maccs_file):\r\n    suppl = Chem.SmilesMolSupplier(input_smi_file)      # Read the smiles_file\r\n    mols  = [Chem.MolFromSmiles(Chem.MolToSmiles(x)) for x in suppl]        # Create Molecules\r\n    fps   = [MACCSkeys.GenMACCSKeys(x) for x in mols]   # MACCS Keys\r\n\r\n    file = open(output_maccs_file,\"w\")\r\n    for i in range(len(mols)):\r\n        tostr = Chem.MolToSmiles(mols[i]) + '\\n'\r\n        for j in range(len(fps[i])):\r\n            tostr += str(fps[i][j])\r\n        file.write(tostr+'\\n')\r\n```\r\nBut once it came to loading the data using get_input_data, the compiler complained saying:\r\n` Failed to interpret file 'data/mcf7.data.npy' as a pickle`\r\nThat's obvious, because the data were saved in a text format.\r\nI hope @spoilt333 can at least provide us with how to save the data in case his private dataset can't be published.\r\n"}}
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