View protein_ligand_train.py
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#! /usr/bin/env python | |
import deepchem as dc | |
from deepchem.utils import download_url | |
from deepchem.utils.evaluate import Evaluator | |
import pandas as pd | |
import nglview | |
import tempfile | |
import os |
View mol_sol_sweep.yaml
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name: dnn cling test | |
project: deepchem_molsol | |
description: go deeper and wider on FC net | |
program: ml_train.py | |
method: bayes | |
metric: | |
name: r2 | |
goal: maximize | |
parameters: | |
batch_size: |
View mol_sol_train.py
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# mol_sol_train.py | |
#-------------- | |
# Load molecular solubility dataset, featurize, train FC net regression model, | |
# and evaluate by R^2 score. | |
import deepchem as dc | |
from deepchem.utils.evaluate import Evaluator | |
from deepchem.utils.save import load_from_disk | |
import numpy as np | |
import numpy.random |
View composite_histogram.json
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{ | |
"$schema": "https://vega.github.io/schema/vega/v5.json", | |
"padding": 5, | |
"signals": [ | |
{ | |
"name": "binOffset", | |
"value": 0 | |
}, | |
{ | |
"name": "binStep", |
View prepare_miniimagenet.py
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#!/usr/bin/env python | |
import csv | |
from PIL import Image | |
import pickle | |
import os | |
img_size = 84 | |
test_csv_file = "../../Code/few-shot-ssl-public/fewshot/data/mini_imagenet_split/Ravi/test.csv" | |
train_csv_file = "../../Code/few-shot-ssl-public/fewshot/data/mini_imagenet_split/Ravi/train.csv" |
View distributed_training.py
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import argparse | |
import time | |
import os | |
import tensorflow | |
from tensorflow.keras import optimizers | |
from tensorflow.keras.preprocessing.image import ImageDataGenerator | |
from tensorflow.keras.models import Sequential | |
from tensorflow.keras.layers import Conv2D, MaxPooling2D |
View adv_finetune.py
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from keras.preprocessing import image | |
from keras.models import Model | |
from keras.layers import Dense, GlobalAveragePooling2D | |
from keras.preprocessing.image import ImageDataGenerator | |
from keras import backend as K | |
import wandb | |
from wandb.keras import WandbCallback | |
from keras_callbacks import PerClassMetrics |
View keras_callbacks.py
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from keras.callbacks import Callback | |
import numpy as np | |
import pandas | |
from sklearn.metrics import precision_score | |
import time | |
import wandb | |
# other metrics from sklearn we may use | |
# confusion_matrix, f1_score, recall_score |