Comments (3)
RishalAggarwal
commented on June 22, 2024
Hi, could you also share the pdb file to reproduce the error
from deeppocket.
pjmartel
commented on June 22, 2024
My apologies. The pdb file is 1k2c.pdb - in fact I used the following command line:
python predict.py -p 1k2c.pdb -c first_model_fold1_best_test_auc_85001.pth.tar -s seg0_best_test_IOU_91.pth.tar -r 3.
from deeppocket.
RishalAggarwal
commented on June 22, 2024
Thank you for bringing this to my attention, the script could not handle cases where no binding site residues are predicted (which unfortunately can be the case sometimes with Deep Learning models). Fixed the issue it should work now. Also, now I've made sure that the script doesn't run if the model weights are not specified, hopefully that addresses the other problem you had. Closing the issue now, do reopen if you have any more issues.
from deeppocket.
Related Issues (20)
- Data Preparation for HOLO4K HOT 3
- How to avoid data leakage? HOT 1
- How to prepare the inputs for training segmentation model? HOT 2
- bary_centers.txt Issue
- Prediction Error
- rank_pockets.py - UserWarning HOT 1
- Training Classifier Problem HOT 1
- Transform part in Train HOT 5
- lack of gninatypes files HOT 9
- The number of pocket in types file HOT 3
- .
- predict.py running error HOT 2
- Understanding the Train Dataset for Training Part HOT 2
- Pocket Probability HOT 1
- Channels in training script are different from those in your Supporting Information table s1 HOT 6
- Do not have files for running make_types.py when prerparing custom data for training a new classifier HOT 3
- Training Classifier Dataset HOT 8
- can not find seg0_best_test_IOU_91.pth.tar.
- No output after running train_segmentation.py HOT 6
- Broken Link to Model Checkpoints, "404 FILE NOT FOUND" HOT 2
Recommend Projects
-
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
-
Vue.js
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
-
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
-
TensorFlow
An Open Source Machine Learning Framework for Everyone
-
Django
The Web framework for perfectionists with deadlines.
-
Laravel
A PHP framework for web artisans
-
D3
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
-
Recommend Topics
-
javascript
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
-
web
Some thing interesting about web. New door for the world.
-
server
A server is a program made to process requests and deliver data to clients.
-
Machine learning
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
-
Visualization
Some thing interesting about visualization, use data art
-
Game
Some thing interesting about game, make everyone happy.
Recommend Org
-
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
-
Microsoft
Open source projects and samples from Microsoft.
-
Google
Google ❤️ Open Source for everyone.
-
Alibaba
Alibaba Open Source for everyone
-
D3
Data-Driven Documents codes.
-
Tencent
China tencent open source team.
from deeppocket.