jrwnter cddd issues - Githubissues

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.

MIT License

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issues

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Training New Dataset

#32 GuptaVishu2002 opened 6 months ago
0
ValueError: need at least one array to concatenate

#31 zchwang opened 9 months ago
2
adding tensorflow install for windows

#30 fmonta closed 1 year ago
1
Bump tensorflow-gpu from 1.10.0 to 2.12.0

#29 dependabot[bot] opened 1 year ago
0
What is your objectives (properties) for the classification model used to train the encoder?

#28 CandyClass closed 9 months ago
1
Git Large File Storage

#27 heberleh opened 2 years ago
4
Extracting Molecular Descriptors

#26 alperendalkiran opened 2 years ago
1
Training / Fine-Tuning

#25 NiharikaVadlamudi opened 2 years ago
1
Bump tensorflow-gpu from 1.10.0 to 2.7.2

#24 dependabot[bot] closed 1 year ago
1
Bump tensorflow-gpu from 1.10.0 to 2.6.4

#23 dependabot[bot] closed 2 years ago
1
Can't correctly pad a character in a smiles and regenerate padded smiles using cddd

#22 swapchavan closed 2 years ago
2
Bump tensorflow-gpu from 1.10.0 to 2.5.3

#21 dependabot[bot] closed 2 years ago
1
Remove redundant if condition

#20 neelbhandari6 opened 2 years ago
0
Bump tensorflow-gpu from 1.10.0 to 2.5.1

#19 dependabot[bot] closed 2 years ago
1
Tf-Keras 2

#18 lcollia opened 3 years ago
6
Restrictions for python version

#17 andrejchenko opened 3 years ago
7
ERROR: Failed building wheel for cddd

#16 radaso closed 3 years ago
0
Bump tensorflow-gpu from 1.10.0 to 2.4.0

#15 dependabot[bot] closed 3 years ago
1
Update environment.yml to install all dependencies in a single step

#14 applio opened 3 years ago
0
MacOS fix

#13 t-kimber opened 3 years ago
0
Tag `master` to a specific version

#12 hadim closed 3 years ago
1
Number of Epochs

#11 ecvgit closed 4 years ago
1
Normalizing embeddings before cross validation?

#10 linlinzhao closed 4 years ago
1
Use short circuiting and chain to make code more readable and efficient.

#9 kotori-y opened 4 years ago
0
Install fails on windows: fix setup.py

#8 kienerj opened 4 years ago
0
Prepare raw data for retrain

#7 Minys233 closed 4 years ago
2
sure_chembl_alerts.txt and chembl_fps.npy not copied during pip install

#6 pcko1 closed 5 years ago
0
How do you tokenize the SMILES representation?

#5 Dinxin closed 5 years ago
1
can't install tensorflow-gpu

#4 xuzhang5788 closed 5 years ago
1
NumPy error when loading data

#3 lorenzoFabbri closed 5 years ago
1
Can't activate the cddd conda env

#2 rajarshi closed 5 years ago
1
Add console script for run_cddd.py

#1 cthoyt closed 5 years ago
1