jrwnter / cddd

Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations" by Robin Winter, Floriane Montanari, Frank Noe and Djork-Arne Clevert.

jrwnter/cddd Issues

ValueError: need at least one array to concatenate
Updated 6 months ago2
Tf-Keras 2
Updated 7 months ago6
Restrictions for python version
Updated 8 months ago5
What is your objectives (properties) for the classification model used to train the encoder?
Closed 8 months ago1
Extracting Molecular Descriptors
Updated a year ago1
Training / Fine-Tuning
Updated 2 years ago1
Git Large File Storage
Updated 2 years ago4
Can't correctly pad a character in a smiles and regenerate padded smiles using cddd
Closed 2 years ago2
Tag `master` to a specific version
Closed 3 years ago1
ERROR: Failed building wheel for cddd
Closed 3 years ago
MacOS fix
Updated 4 years ago
Normalizing embeddings before cross validation?
Closed 4 years ago1
Number of Epochs
Closed 4 years ago1
Install fails on windows: fix setup.py
Updated 5 years ago
Prepare raw data for retrain
Closed 5 years ago2
How do you tokenize the SMILES representation?
Closed 5 years ago1
sure_chembl_alerts.txt and chembl_fps.npy not copied during pip install
Closed 5 years ago
can't install tensorflow-gpu
Closed 5 years ago1
Can't activate the cddd conda env
Closed 5 years ago1
NumPy error when loading data
Closed 5 years ago1