CANDO

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Replace Indication object

1

Create 2 indication dictionaries (id to compound list and name to id) to replace indication object

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Add parameter to calculate additional metrics from the functions above as part of canbenchmark_new

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Create functions to calculate common metrics based on outcomes of canbenchmark_new (particularly NDCG, recall, precision, AUROC if possible)

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help needed : UnpicklingError: pickle data was truncated

2

UnpicklingError: pickle data was truncated Dear Sir, I want to run the following code: (https://github.com/lamawmouk/Tox21_FeatureSelection_SMOTEENN_RF/tree/main/Featuregeneration_using_CANDO)/Feature_generation_trainset.ipynb ............................. import csv with open('train_smile_toxnum.csv','r') as csvin, open('train_smile.tsv', 'w') as tsvout: csvin = csv.reader(csvin) tsvout...

mislam5285

Kindly help to solve the following error

1

Kindly help to solve the following error: Generating CANDO matrix... Traceback (most recent call last): File "/tmp/ipykernel_3652/1890496437.py", line 10, in lig_name=False, ncpus=ncpus) File "/home/mi/anaconda3/lib/python3.7/site-packages/cando/cando.py", line 4224, in generate_matrix p_dict[p[0]] =...

mislam5285

Update README.md with the option to download the anaconda env for CANDO (all packages installed) and a preconfigured CANDO env with all packages and the newest stable version of CANDO.

zfalls