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osbm/chembl25_smiles_dataset.ipynb

Created September 13, 2022 08:21
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chembl25_smiles_dataset.ipynb
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chembl25_smiles_dataset.ipynb
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"2319edd054964e41911248e762cd726e",
"eef523cd62b34f0e86bdb83fd9796a61",
"25ce0f9063b2416f989b334e532cee18",
"0a865e56e6a743d7aaa81b504cd0113a",
"2b73a4ac428e4194b51318ac6daabf6c",
"1b4f273c0b0f4d6f8fbaeb61ade7e3c1",
"c6ffe53fd8634ec686b9938ecd47f9a4",
"a77ffc9a3dad4e23b1adffca3cfe8c7c",
"dd20d2bc08d84130959824328151f28e",
"7c783f451d8148dc8ce43e7e2f0fdd3c",
"332daad8a3e943da9d4eb4da132d254e",
"0524479a41e74d59bb0ebfc4affb96b9",
"5be62d24511546779ba279f0682f5e33",
"bb3e6d4e5a5342a9a1cd02c48081eaa7",
"69b6047ee72e44f99042edfe7ed097bb",
"ab87c1d079334fbe9f6c828d35075241",
"1999490fce064424ad397f8cb28f5aaa",
"afd26c8076d14f73a80937d6a4e24215",
"97580cfc87464329ae41acef9ce41d75",
"5bf64c2bea9f4218914c2db83c0a74d4"
]
},
"id": "vxLoDg9VymKI",
"outputId": "82b7bf17-5c41-4cbf-853e-68d38c7a80d0"
},
"outputs": [
{
"output_type": "stream",
"name": "stderr",
"text": [
"WARNING:datasets.builder:Using custom data configuration osbm--chembl25-cbf1be2634f255a4\n"
]
},
{
"output_type": "stream",
"name": "stdout",
"text": [
"Downloading and preparing dataset text/osbm--chembl25 to /root/.cache/huggingface/datasets/osbm___text/osbm--chembl25-cbf1be2634f255a4/0.0.0/21a506d1b2b34316b1e82d0bd79066905d846e5d7e619823c0dd338d6f1fa6ad...\n"
]
},
{
"output_type": "display_data",
"data": {
"text/plain": [
"Downloading data files: 0%| | 0/1 [00:00<?, ?it/s]"
],
"application/vnd.jupyter.widget-view+json": {
"version_major": 2,
"version_minor": 0,
"model_id": "c2cda4064b604ff5b6f468093fcc7a9a"
}
},
"metadata": {}
},
{
"output_type": "display_data",
"data": {
"text/plain": [
"Downloading data: 0%| | 0.00/91.6M [00:00<?, ?B/s]"
],
"application/vnd.jupyter.widget-view+json": {
"version_major": 2,
"version_minor": 0,
"model_id": "54fcce8b3904474eadb4518aa6eadb07"
}
},
"metadata": {}
},
{
"output_type": "display_data",
"data": {
"text/plain": [
"Downloading data: 0%| | 0.00/106M [00:00<?, ?B/s]"
],
"application/vnd.jupyter.widget-view+json": {
"version_major": 2,
"version_minor": 0,
"model_id": "ab3a6f4bde8a4e3fbedde41f0f8dd477"
}
},
"metadata": {}
},
{
"output_type": "display_data",
"data": {
"text/plain": [
"Extracting data files: 0%| | 0/1 [00:00<?, ?it/s]"
],
"application/vnd.jupyter.widget-view+json": {
"version_major": 2,
"version_minor": 0,
"model_id": "1ec81615aa104ad1b5b1d84144f71a93"
}
},
"metadata": {}
},
{
"output_type": "display_data",
"data": {
"text/plain": [
"0 tables [00:00, ? tables/s]"
],
"application/vnd.jupyter.widget-view+json": {
"version_major": 2,
"version_minor": 0,
"model_id": "9fae8a0d6fe34c7b94753c6f60493686"
}
},
"metadata": {}
},
{
"output_type": "stream",
"name": "stdout",
"text": [
"Dataset text downloaded and prepared to /root/.cache/huggingface/datasets/osbm___text/osbm--chembl25-cbf1be2634f255a4/0.0.0/21a506d1b2b34316b1e82d0bd79066905d846e5d7e619823c0dd338d6f1fa6ad. Subsequent calls will reuse this data.\n"
]
},
{
"output_type": "display_data",
"data": {
"text/plain": [
" 0%| | 0/1 [00:00<?, ?it/s]"
],
"application/vnd.jupyter.widget-view+json": {
"version_major": 2,
"version_minor": 0,
"model_id": "7c783f451d8148dc8ce43e7e2f0fdd3c"
}
},
"metadata": {}
}
],
"source": [
"!pip install -q datasets\n"
]
},
{
"cell_type": "code",
"source": [
"from datasets import load_dataset\n",
"\n",
"dataset = load_dataset(\"osbm/chembl25\")\n"
],
"metadata": {
"id": "qbWBNtNc7pCF"
},
"execution_count": null,
"outputs": []
},
{
"cell_type": "code",
"source": [
"dataset = dataset[\"train\"][\"text\"]\n",
"index = len(dataset) // 2\n",
"smiles = dataset[:index]\n",
"smiles_tokenized = dataset[index:]\n"
],
"metadata": {
"id": "pDvOosxz7kIT"
},
"execution_count": null,
"outputs": []
}
]
}
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