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Modifies the docs to account for the api change #13

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Original file line number Diff line number Diff line change
Expand Up @@ -9,7 +9,7 @@
"name": "stdout",
"output_type": "stream",
"text": [
"['aloha', 'foldx_rfp_lambo', 'foldx_sasa', 'foldx_stability', 'foldx_stability_and_sasa', 'gfp_select', 'penalized_logp_lambo', 'rdkit_logp', 'rdkit_qed', 'toy_continuous_problem', 'white_noise']\n"
"['aloha', 'dockstring', 'foldx_stability', 'gfp_select', 'rdkit_logp', 'rdkit_qed', 'toy_continuous_problem', 'white_noise']\n"
]
}
],
Expand All @@ -27,7 +27,7 @@
"name": "stdout",
"output_type": "stream",
"text": [
"['aloha', 'dockstring', 'drd3_docking', 'foldx_rfp_lambo', 'foldx_sasa', 'foldx_stability', 'foldx_stability_and_sasa', 'gfp_cbas', 'gfp_select', 'penalized_logp_lambo', 'rasp', 'rdkit_logp', 'rdkit_qed', 'sa_tdc', 'super_mario_bros', 'toy_continuous_problem', 'white_noise']\n"
"['aloha', 'dockstring', 'drd3_docking', 'foldx_rfp_lambo', 'foldx_sasa', 'foldx_stability', 'foldx_stability_and_sasa', 'gfp_cbas', 'gfp_select', 'penalized_logp_lambo', 'rasp', 'rdkit_logp', 'rdkit_qed', 'rfp_foldx_stability_and_sasa', 'sa_tdc', 'super_mario_bros', 'toy_continuous_problem', 'white_noise']\n"
]
}
],
Expand All @@ -51,20 +51,28 @@
"source": [
"from poli import objective_factory\n",
"\n",
"problem_info, f, x0, y0, _ = objective_factory.create(name=\"white_noise\")"
"f, x0, y0 = objective_factory.create(name=\"white_noise\")"
]
},
{
"cell_type": "code",
"execution_count": 4,
"metadata": {},
"outputs": [
{
"name": "stderr",
"output_type": "stream",
"text": [
"/Users/sjt972/anaconda3/envs/poli-docs2/lib/python3.9/site-packages/tqdm/auto.py:21: TqdmWarning: IProgress not found. Please update jupyter and ipywidgets. See https://ipywidgets.readthedocs.io/en/stable/user_install.html\n",
" from .autonotebook import tqdm as notebook_tqdm\n"
]
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"x0: [['1' '2' '3']]\n",
"y0: [[0.57433265]]\n"
"y0: [[-1.16173153]]\n"
]
}
],
Expand All @@ -89,7 +97,7 @@
{
"data": {
"text/plain": [
"array([['1', '4', '3']], dtype='<U1')"
"array([['1', '2', '6']], dtype='<U1')"
]
},
"execution_count": 5,
Expand Down Expand Up @@ -139,7 +147,7 @@
"name": "stdout",
"output_type": "stream",
"text": [
"[['6' '2' '6']]\n"
"[['1' '3' '0']]\n"
]
}
],
Expand Down
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Expand Up @@ -15,6 +15,31 @@
"execution_count": 2,
"metadata": {},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"poli 🧪: creating environment poli__dockstring from dockstring/environment.yml\n"
]
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"poli 🧪: creating environment poli__dockstring from dockstring/environment.yml\n",
"poli 🧪: running registration of dockstring from environment poli__dockstring\n"
]
},
{
"name": "stderr",
"output_type": "stream",
"text": [
"/Users/sjt972/Projects/poli/src/poli/core/registry.py:258: UserWarning: Environment poli__dockstring already exists. Will not create it.\n",
" warnings.warn(f\"Environment {env_name} already exists. Will not create it.\")\n",
"/Users/sjt972/Projects/poli/src/poli/core/registry.py:269: UserWarning: Running the following command: conda run -n poli__dockstring python /Users/sjt972/Projects/poli/src/poli/objective_repository/dockstring/register.py. \n",
" warnings.warn(\"Running the following command: %s. \" % command)\n"
]
},
{
"name": "stdout",
"output_type": "stream",
Expand All @@ -35,7 +60,7 @@
"source": [
"from poli import create\n",
"\n",
"problem_info, f, x0, y0, _ = create(\n",
"f, x0, y0 = create(\n",
" name=\"dockstring\",\n",
" target_name=\"drd2\" # The target protein.\n",
")"
Expand Down Expand Up @@ -117,7 +142,7 @@
}
],
"source": [
"problem_info, f_logp, x0_logp, y0_logp, _ = create(\n",
"f_logp, x0_logp, y0_logp = create(\n",
" name=\"rdkit_logp\"\n",
")"
]
Expand Down

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Original file line number Diff line number Diff line change
Expand Up @@ -194,28 +194,12 @@
]
},
"outputs": [
{
"name": "stderr",
"output_type": "stream",
"text": [
"/Users/sjt972/anaconda3/envs/poli-docs/lib/python3.9/site-packages/tqdm/auto.py:21: TqdmWarning: IProgress not found. Please update jupyter and ipywidgets. See https://ipywidgets.readthedocs.io/en/stable/user_install.html\n",
" from .autonotebook import tqdm as notebook_tqdm\n"
]
},
{
"name": "stderr",
"output_type": "stream",
"text": [
"2023-12-22 12:10:31,253\tINFO util.py:154 -- Missing packages: ['ipywidgets']. Run `pip install -U ipywidgets`, then restart the notebook server for rich notebook output.\n"
]
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"WARNING:tensorflow:From /Users/sjt972/anaconda3/envs/poli-docs/lib/python3.9/site-packages/tensorflow/python/compat/v2_compat.py:108: disable_resource_variables (from tensorflow.python.ops.variable_scope) is deprecated and will be removed in a future version.\n",
"Instructions for updating:\n",
"non-resource variables are not supported in the long term\n"
"poli 🧪: Creating the objective from the repository.\n",
"poli 🧪: initializing the observer.\n"
]
}
],
Expand All @@ -226,7 +210,7 @@
"observer = SimpleObserver()\n",
"\n",
"# We instantiate the objective function\n",
"problem_info, f, x0, y0, _ = objective_factory.create(\n",
"f, x0, y0 = objective_factory.create(\n",
" name=\"aloha\",\n",
" observer=observer,\n",
")"
Expand Down
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